SCHEMBL9437800

SCHEMBL9437800

Cn1c(=O)sc2cc(CCNCCCCN3CCC(C)(C)CC3=O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.46
HTR1A P08908 7/20 0.43
HTR2C P28335 5/20 0.43

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
SCHEMBL9437920 0.96 SIGMAR1 (0.51) SIGMAR1HTR1AHTR2C
SCHEMBL9437932 0.86 SIGMAR1 (0.49) SIGMAR1HTR1AHTR2C
SCHEMBL9437795 0.84 SIGMAR1 (0.49) SIGMAR1HTR1AHTR2C
SCHEMBL9437850 0.82 SIGMAR1 (0.54) SIGMAR1HTR1AHTR2C
SCHEMBL9437807 0.81 SIGMAR1 (0.54) SIGMAR1HTR1AHTR2C
SCHEMBL9437794 0.79 HTR1A (0.46) HTR1A
SCHEMBL9437736 0.78 SIGMAR1 (0.43) SIGMAR1HTR1AHTR2C
SCHEMBL9437805 0.75
SCHEMBL9437887 0.75 HTR1A (0.45) HTR1AHTR2C
SCHEMBL9437721 0.74 SIGMAR1 (0.53) 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 2 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