SCHEMBL8947933

SCHEMBL8947933

COc1ccccc1N1CCN(CCCCc2ccc3c(c2)sc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.66
HTR2C P28335 5/20 0.66
HTR7 P34969 4/20 0.56
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
HTR2A P28223 1/20 0.51

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
SCHEMBL8948192 0.95 HTR1A (0.65) HTR1AHTR2CHTR7HTR2A
SCHEMBL8948013 0.93 HTR1A (0.56) HTR1AHTR2CHTR7KDM4ECYP1A2
SCHEMBL8948074 0.91 HTR1A (0.53) HTR1AHTR2CHTR7KDM4ECYP1A2
SCHEMBL8947994 0.89 CYP1A2 (0.51) HTR1AHTR2CHTR7KDM4ECYP1A2
SCHEMBL8948137 0.88 HTR1A (0.70) HTR1AHTR2CHTR7
SCHEMBL8947985 0.88 KDM4E (0.58) HTR1AHTR2CHTR7KDM4ECYP1A2
SCHEMBL8948014 0.88 HTR1A (0.52) HTR1AHTR2CHTR7CYP3A4CYP2D6
SCHEMBL8947957 0.86 HTR1A (0.65) HTR1AHTR2CHTR7KDM4ECYP1A2
SCHEMBL8947779 0.86 KDM4E (0.54) HTR1AHTR2CHTR7KDM4ECYP1A2
SCHEMBL8948078 0.84 HTR2A (0.55) HTR2CHTR7KDM4ECYP1A2CYP3A4

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 4 patents. 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
US-5387586-A Analgesics, nervous system disorders ADIR ET COMPAGNIE (FR) 1995-02-07 US claimed
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 disclosed
US-5387586-A Analgesics, nervous system disorders ADIR ET COMPAGNIE (FR) 1995-02-07 US disclosed