SCHEMBL6201386

SCHEMBL6201386

CC(C)c1ccc(NC(=O)Nc2cccc(-c3c(Cl)cnn3C)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.68
HTR2C P28335 6/20 0.55
CNR1 P21554 8/20 0.49
RAF1 P04049 2/20 0.48
BRAF P15056 1/20 0.47
CNR2 P34972 1/20 0.47
AURKB Q96GD4 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL6201643 0.90 HTR2A (0.79) HTR2AHTR2CCNR1CNR2
SCHEMBL6198676 0.86 HTR2A (0.64) HTR2AHTR2CCNR1CNR2ALDH1A1
SCHEMBL6199738 0.86 HTR2A (0.64) HTR2AHTR2CCNR1CNR2ALDH1A1
SCHEMBL6198211 0.85 HTR2A (0.60) HTR2AHTR2CCNR1RAF1CNR2
SCHEMBL6198462 0.85 HTR2A (0.62) HTR2AHTR2CCNR1CNR2ALDH1A1
SCHEMBL6196200 0.84 HTR2A (0.65) HTR2AHTR2CAURKBALDH1A1MAPT
SCHEMBL6199412 0.84 HTR2A (0.56) HTR2AHTR2CALDH1A1MAPTHPGD
SCHEMBL6195174 0.83 HTR2A (0.60) HTR2AHTR2CCNR1AURKBALDH1A1
SCHEMBL15248447 0.82 HTR2A (0.61) HTR2AHTR2C
SCHEMBL6198156 0.81 TRPV1 (0.62) HTR2AHTR2CBRAFALDH1A1MAPT

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-1509505-A2 SMALL MOLECULE MODULATORS OF THE 5−HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2005-03-02 EP claimed
WO-2003062206-A2 SMALL MOLECULE MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2003-07-31 WO claimed