SCHEMBL6199304

SCHEMBL6199304

Cn1ncc(Cl)c1-c1cccc(NC(=O)Nc2ccc(F)cc2C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.54
HTR2C P28335 10/20 0.54
NTRK1 P04629 1/20 0.46
TP53 P04637 1/20 0.45
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
CNR1 P21554 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL6198930 0.91 HTR2A (0.60) HTR2AHTR2CNTRK1TP53RAF1
SCHEMBL6196811 0.90 HTR2A (0.64) HTR2AHTR2CNTRK1TP53GAA
SCHEMBL6198557 0.89 HTR2A (0.67) HTR2AHTR2CCNR1GAASMN1; SMN2
SCHEMBL6200559 0.87 HTR2A (0.58) HTR2AHTR2CCNR1GAASMN1; SMN2
SCHEMBL6196617 0.85 HTR2A (0.60) HTR2AHTR2CRAF1BRAFKDR
SCHEMBL6195174 0.84 HTR2A (0.60) HTR2AHTR2CNTRK1CNR1
SCHEMBL6196260 0.83 HTR2A (0.58) HTR2AHTR2CCNR1
SCHEMBL6199415 0.82 HTR2A (0.64) HTR2AHTR2CCNR1GAASMN1; SMN2
SCHEMBL6196200 0.81 HTR2A (0.65) HTR2AHTR2CTP53SMN1; SMN2KDR
SCHEMBL6201643 0.79 HTR2A (0.79) HTR2AHTR2CCNR1

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