SCHEMBL6201621

SCHEMBL6201621

COc1ccc(NC(=O)Nc2cc(-c3ccc(OC)cc3)cc(-c3c(Br)cnn3C)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.67
HTR2C P28335 15/20 0.67
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6199479 0.97 HTR2A (0.64) HTR2AHTR2CNPC1RAB9AMAPT
SCHEMBL6196777 0.95 HTR2A (0.63) HTR2AHTR2C
SCHEMBL6200476 0.95 HTR2A (0.63) HTR2AHTR2C
SCHEMBL6197865 0.95 HTR2A (0.67) HTR2AHTR2C
SCHEMBL6196737 0.94 HTR2A (0.64) HTR2AHTR2CRAB9A
SCHEMBL6198377 0.93 HTR2A (0.65) HTR2AHTR2CNPC1RAB9AMAPT
SCHEMBL6199825 0.92 HTR2A (0.65) HTR2AHTR2C
SCHEMBL6198521 0.92 HTR2A (0.59) HTR2AHTR2CRAB9AMAPT
SCHEMBL6197155 0.89 HTR2A (0.66) HTR2AHTR2C
SCHEMBL6200652 0.87 HTR2A (0.66) HTR2AHTR2C

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