SCHEMBL8948137

SCHEMBL8948137

COc1ccccc1N1CCN(CCCCc2ccc3c(c2)sc(=O)n3CCN2CCC(Cc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.70
HTR2C P28335 5/20 0.70
SIGMAR1 Q99720 1/20 0.61
HTR7 P34969 4/20 0.59
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56

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
SCHEMBL8947933 0.88 HTR1A (0.66) HTR1AHTR2CHTR7
SCHEMBL8948192 0.83 HTR1A (0.65) HTR1AHTR2CHTR7
SCHEMBL8948062 0.81 HTR1A (0.69) HTR1AHTR2CSIGMAR1HTR7
SCHEMBL8948013 0.81 HTR1A (0.56) HTR1AHTR2CHTR7
SCHEMBL7761659 0.80 HTR1A (1.00) HTR1AHTR2CSIGMAR1HTR7
SCHEMBL8948074 0.79 HTR1A (0.53) HTR1AHTR2CSIGMAR1HTR7
SCHEMBL8947994 0.77 CYP1A2 (0.51) HTR1AHTR2CSIGMAR1HTR7SLC6A4
SCHEMBL8110473 0.77 SIGMAR1 (1.00) HTR1AHTR2CSIGMAR1
SCHEMBL8948014 0.77 HTR1A (0.52) HTR1AHTR2CHTR7
Hydrochloric Acid SCHEMBL9449678 0.76 HTR1A (0.98) HTR1AHTR2CSIGMAR1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534517-A (Aryl(alkyl)carbonyl)-heterocyclic compounds and their use in the treatment of anxiety and depression ADIR ET COMPAGNIE (FR) 1996-07-09 US claimed