SCHEMBL6201384

SCHEMBL6201384

COc1ccc(NC(=O)N(S)c2cc(-c3c(Br)cnn3C)cc(N3CCCC3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.48
HTR2C P28335 11/20 0.48
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
NR4A1 P22736 1/20 0.42
MCL1 Q07820 1/20 0.42
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6198115 0.75 HTR2A (0.57) HTR2AHTR2CMAPTRAB9A
SCHEMBL6201535 0.74 HTR2A (0.55) HTR2AHTR2CMAPTKMT2ARAB9A
SCHEMBL6197652 0.72 HTR2A (0.68) HTR2AHTR2C
SCHEMBL6201621 0.71 HTR2A (0.67) HTR2AHTR2CMAPTRAB9ASMN1; SMN2
SCHEMBL6194256 0.70 RAB9A (0.49) HTR2AMAPTKMT2AALDH1A1RAB9A
SCHEMBL6198377 0.70 HTR2A (0.65) HTR2AHTR2CMAPTRAB9ASMN1; SMN2
SCHEMBL6197155 0.69 HTR2A (0.66) HTR2AHTR2C
SCHEMBL5063293 0.69 HTR2A (0.71) HTR2AHTR2C
SCHEMBL6199479 0.69 HTR2A (0.64) HTR2AHTR2CMAPTRAB9A
SCHEMBL6199536 0.68 HTR2A (0.54) HTR2AHTR2CKMT2AMEN1SMN1; 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-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