SCHEMBL7990156

SCHEMBL7990156

O=C1N(CCCCN2CCN(c3csc4ccccc34)CC2)CSC12CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.51
DRD4 P21917 1/20 0.51
HTR1A P08908 2/20 0.48
DRD2 P14416 2/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
Maleic Acid SCHEMBL7993166 0.93 HTR2A (0.46) HTR2ADRD4HTR1ADRD2HTR2C
Fumaric Acid SCHEMBL7993170 0.93 HTR2A (0.46) HTR2ADRD4HTR1ADRD2HTR2C
Fumaric Acid SCHEMBL7990225 0.92 HTR2A (0.45) HTR2ADRD4HTR1ADRD2HTR2C
Maleic Acid SCHEMBL7990218 0.92 HTR2A (0.45) HTR2ADRD4HTR1ADRD2HTR2C
SCHEMBL7979554 0.81
SCHEMBL7991135 0.80
SCHEMBL7993126 0.80 HTR2A (0.47) HTR2ADRD4HTR1ADRD2HTR2C
SCHEMBL7991154 0.79
SCHEMBL7978741 0.79 HTR1A (0.61) DRD4HTR1ADRD2ADRA1A
Hydrochloric Acid SCHEMBL7991680 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4933453-A ANTIPSYCHOTIC, ANALGESIC, ANTICONVULSANT, AND ANXIOLYTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 US claimed
US-6284775-B1 PSYCHOLOGICAL DISORDERS AVENTIS PHARMACEUTICALS INC. 2001-09-04 US disclosed
US-5371087-A Antipsychotic, analgesics, anticonvulsant and anxiolytic agent HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-12-06 US disclosed
US-5229388-A 3-[4-(1-substituted-4-piperazinyl)butyl]-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-20 US disclosed
US-5136037-A 3-(4-substituted-4-piperazinyl)butyl-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-08-04 US disclosed
US-5037984-A Anticonvulsants; anxiolytic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-06 US disclosed
US-4933453-A ANTIPSYCHOTIC, ANALGESIC, ANTICONVULSANT, AND ANXIOLYTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 US disclosed