SCHEMBL8948192

SCHEMBL8948192

COc1ccccc1N1CCN(CCc2ccc3c(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 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.65
HTR2C P28335 5/20 0.65
HTR7 P34969 4/20 0.52
HTR2A P28223 1/20 0.49
GRM2 Q14416 1/20 0.49

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 0.95 HTR1A (0.66) HTR1AHTR2CHTR7HTR2A
SCHEMBL8948014 0.90 HTR1A (0.52) HTR1AHTR2CHTR7
SCHEMBL8948011 0.88 HTR1A (0.60) HTR1AHTR2CHTR7HTR2A
SCHEMBL8948013 0.88 HTR1A (0.56) HTR1AHTR2CHTR7HTR2A
SCHEMBL8948074 0.86 HTR1A (0.53) HTR1AHTR2CHTR7HTR2A
SCHEMBL8948000 0.85 HTR2A (0.50) HTR1AHTR2CHTR7HTR2AGRM2
SCHEMBL7765360 0.85 HTR2A (0.47) HTR1AHTR2CHTR7HTR2A
SCHEMBL8947974 0.84 SIGMAR1 (0.64) HTR2CHTR7HTR2A
SCHEMBL8947935 0.83 HTR2A (0.59) HTR1AHTR2CHTR7HTR2A
SCHEMBL8947994 0.83 CYP1A2 (0.51) HTR1AHTR2CHTR7HTR2A

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-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
EP-0613898-A1 Aryl or arylalkyl-carbonyl heterocyclic derivatives, processes for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1994-09-07 EP disclosed