SCHEMBL7323601

SCHEMBL7323601

c1ccc2c(c1)COC1(CCNCC1)CO2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.40
OPRD1 P41143 6/20 0.38
HTR2C P28335 3/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 4/20 0.36
OPRK1 P41145 2/20 0.36
OPRM1 P35372 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
HTR2A P28223 2/20 0.33
DRD2 P14416 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CYP2D6 P10635 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL10632008 0.98 OXTR (0.39) OXTROPRD1HTR2CHTR2BKCNH2
Hydrochloric Acid SCHEMBL7322033 0.78 SIGMAR1 (0.41) HTR2CHTR2BSIGMAR1HTR2ADRD2
SCHEMBL6992275 0.76 HTR2C (0.39) OPRD1HTR2CHTR2BOPRM1SIGMAR1
SCHEMBL169809 0.76 OPRD1 (0.49) OPRD1HTR2CHTR2BKCNH2OPRK1
Hydrochloric Acid SCHEMBL8915817 0.75 HTR2C (0.38) OPRD1HTR2CHTR2BOPRM1SIGMAR1
SCHEMBL4229844 0.73 OXTR (0.42) OXTROPRD1HTR2CHTR2BKCNH2
SCHEMBL15069597 0.73 SIGMAR1 (0.55) OXTROPRD1HTR2CHTR2BKCNH2
SCHEMBL471621 0.69 SIGMAR1 (0.53) OPRD1HTR2CHTR2BKCNH2OPRK1
SCHEMBL30538343 0.69 SIGMAR1 (0.53) OPRD1HTR2CHTR2BKCNH2OPRK1
SCHEMBL231585 0.69 OPRD1 (0.49) OXTROPRD1HTR2CHTR2BKCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0102034-B1 SPIRO(2H-1,4-BENZODIOXEPIN-3(5H)4'-PIPERIDINE AND 3'-PYRROLIDINO) COMPOUNDS, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-04-20 EP disclosed
EP-0102034-B1 SPIRO(2H-1,4-BENZODIOXEPIN-3(5H)4'-PIPERIDINE AND 3'-PYRROLIDINO) COMPOUNDS, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-04-20 EP disclosed
US-4695637-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-09-22 US disclosed
US-4695637-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-09-22 US disclosed
US-4668791-A HYPOTENSIVE, ALDEHYDES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-05-26 US disclosed
US-4579950-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-04-01 US disclosed
US-4579950-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-04-01 US disclosed
US-4577026-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-03-18 US disclosed
US-4577026-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-03-18 US disclosed
US-4577026-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-03-18 US disclosed
US-4569998-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-02-11 US disclosed
US-4569998-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-02-11 US disclosed
US-4521537-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-06-04 US disclosed
US-4521537-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-06-04 US disclosed
US-4472580-A Spiro (2H-1,4-benzodioxepin-3 (5H)4-piperidine and -3-pyrrolidine) compounds and their use as anti-hypertensive agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-09-18 US disclosed
EP-0102034-A1 Spiro(2H-1,4-benzodioxepin-3(5H)4'-piperidine and 3'-pyrrolidino) compounds, a process for preparing the same and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-03-07 EP disclosed
EP-0102034-A1 Spiro(2H-1,4-benzodioxepin-3(5H)4'-piperidine and 3'-pyrrolidino) compounds, a process for preparing the same and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-03-07 EP disclosed
US-4405631-A Spiro[2H-1,4-benzodioxepin-3(5H)4'-piperidine and -3'pyrrolidine] compounds and their use as antihypertensive agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-09-20 US disclosed
US-4405631-A Spiro[2H-1,4-benzodioxepin-3(5H)4'-piperidine and -3'pyrrolidine] compounds and their use as antihypertensive agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-09-20 US disclosed
US-4405631-A Spiro[2H-1,4-benzodioxepin-3(5H)4'-piperidine and -3'pyrrolidine] compounds and their use as antihypertensive agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-09-20 US disclosed