SCHEMBL4661776

SCHEMBL4661776

COc1ncc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Cl)cnn1C

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.77
HTR2C P28335 15/20 0.77
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
PDGFRA P16234 1/20 0.45
KDR P35968 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL4660639 0.93 HTR2A (0.66) HTR2AHTR2CMAPTHTT
SCHEMBL4661872 0.89 HTR2A (0.63) HTR2AHTR2C
SCHEMBL4792169 0.89 HTR2A (0.77) HTR2AHTR2C
SCHEMBL4660580 0.88 HTR2A (0.61) HTR2AHTR2C
SCHEMBL1167074 0.87 HTR2A (1.00) HTR2AHTR2C
SCHEMBL29573262 0.87 HTR2A (1.00) HTR2AHTR2C
SCHEMBL4660710 0.84 HTR2A (0.74) HTR2AHTR2C
SCHEMBL29572894 0.83 HTR2A (0.78) HTR2AHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL15248644 0.83 HTR2A (0.78) HTR2AHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL1166745 0.83 HTR2A (0.78) HTR2AHTR2CNPC1RAB9ASMN1; SMN2

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
EP-2004627-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120600-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed