SCHEMBL9437702

SCHEMBL9437702

Cn1c(=O)sc2cc(CCNCCCCN3C(=O)c4ccccc4C3=O)ccc21

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.51
ACHE P22303 7/20 0.48
HTR1A P08908 1/20 0.47
HTR2C P28335 1/20 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
SCHEMBL9437827 0.97 SIGMAR1 (0.49) SIGMAR1ACHEHTR1AHTR2C
SCHEMBL9437912 0.96 SIGMAR1 (0.56) SIGMAR1ACHEHTR1AHTR2C
SCHEMBL9437780 0.94 SIGMAR1 (0.53) SIGMAR1ACHEHTR1AHTR2C
SCHEMBL9437751 0.92 SIGMAR1 (0.51) SIGMAR1HTR1AHTR2C
SCHEMBL9437711 0.92 SIGMAR1 (0.53) SIGMAR1ACHEHTR1AHTR2C
SCHEMBL8116685 0.89 SIGMAR1 (0.62) SIGMAR1HTR1AHTR2C
SCHEMBL9556394 0.88 SIGMAR1 (0.61) SIGMAR1HTR1AHTR2C
SCHEMBL8114155 0.85 SIGMAR1 (0.60) SIGMAR1HTR1AHTR2C
SCHEMBL9437691 0.82 SIGMAR1 (0.49) SIGMAR1HTR1AHTR2C
SCHEMBL9437932 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