SCHEMBL9437708

SCHEMBL9437708

CN(CC#N)CCc1ccc2c(c1)sc(=O)n2C

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.51
HTR1A P08908 7/20 0.47
HTR2C P28335 4/20 0.47

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
SCHEMBL9437822 0.92 SIGMAR1 (0.53) SIGMAR1HTR1AHTR2C
SCHEMBL9437854 0.86 SIGMAR1 (0.47) SIGMAR1HTR1AHTR2C
SCHEMBL8110589 0.82 SIGMAR1 (0.51) SIGMAR1HTR1AHTR2C
SCHEMBL9437692 0.82 SIGMAR1 (0.51) SIGMAR1HTR1AHTR2C
SCHEMBL8109725 0.82 SIGMAR1 (0.53) SIGMAR1HTR1AHTR2C
SCHEMBL8109064 0.82 SIGMAR1 (0.51) SIGMAR1HTR1AHTR2C
Hydrochloric Acid SCHEMBL8870179 0.81 SIGMAR1 (0.50) SIGMAR1HTR1AHTR2C
Hydrochloric Acid SCHEMBL8870196 0.81 SIGMAR1 (0.50) SIGMAR1HTR1AHTR2C
Hydrochloric Acid SCHEMBL8870580 0.81 SIGMAR1 (0.52) SIGMAR1HTR1AHTR2C
SCHEMBL9437747 0.81 SIGMAR1 (0.49) SIGMAR1HTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296477-A Antidepressants ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
US-5268381-A Antidepressant or anxiolytic compound ADIR ET COMPAGNIE (FR) 1993-12-07 US disclosed
US-5196434-A Antidepressants, anxiolytic agents ADIR ET COMPAGNIE (FR) 1993-03-23 US disclosed