SCHEMBL7324875

SCHEMBL7324875

C#CC1(OCc2cc(F)ccc2F)CCN(C(C)=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
RORC P51449 6/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ROCK2 O75116 3/20 0.41
RIPK1 Q13546 2/20 0.39
CYP2D6 P10635 3/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.35
PREP P48147 1/20 0.35

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
SCHEMBL7330260 0.86 RAB9A (0.57) DPP4DPP7MEN1RAB9AKMT2A
SCHEMBL11128101 0.85 RAB9A (0.56) DPP4DPP7MEN1RAB9AKMT2A
SCHEMBL7330358 0.84 ALDH1A1 (0.43) DPP4DPP7RORCMEN1RAB9A
SCHEMBL11128097 0.84 RAB9A (0.55) DPP4DPP7MEN1RAB9AKMT2A
SCHEMBL10555660 0.74 CYP2D6 (0.39) DPP4DPP7RORCROCK2CYP2D6
Hydrochloric Acid SCHEMBL10555169 0.73 CYP2D6 (0.38) DPP4DPP7RORCROCK2CYP2D6
Oxalic Acid SCHEMBL7325487 0.71 KMT2A (0.43) DPP4MEN1RAB9AKMT2AALDH1A1
SCHEMBL10558340 0.70 MAPT (0.41) MEN1RAB9AKMT2ACYP2D6ALDH1A1
SCHEMBL10834914 0.68 MMP2 (0.40) DPP4DPP7ROCK2RIPK1PREP
Hydrochloric Acid SCHEMBL7323799 0.67 MMP2 (0.39) DPP4DPP7ROCK2RIPK1PREP

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4579950-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-04-01 US claimed
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-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-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-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
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