SCHEMBL4783828

SCHEMBL4783828

Cn1nc(C(=O)N2CCN(CCc3ccc(F)cc3)CC2)c2ccc(Br)cc21

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.62
HTR2C P28335 5/20 0.62
THRB P10828 1/20 0.47
DRD2 P14416 1/20 0.46
KCNH2 Q12809 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4784178 0.87 HTR2A (0.66) HTR2AHTR2CKCNH2
SCHEMBL4781253 0.85 HTR2A (0.61) HTR2AHTR2CDRD2KCNH2TMEM97
SCHEMBL4782110 0.85 HTR2A (0.54) HTR2AHTR2CDRD2KCNH2TMEM97
SCHEMBL4780094 0.85 HTR2A (0.67) HTR2AHTR2CKCNH2
SCHEMBL3140063 0.80 HTR2A (0.72) HTR2AHTR2CKCNH2TMEM97MEN1
SCHEMBL4780625 0.77 HTR2A (0.64) HTR2AHTR2CDRD2KCNH2MEN1
SCHEMBL4781375 0.77 PTGS1 (0.58) HTR2AHTR2CDRD2KCNH2TMEM97
SCHEMBL3139495 0.77 HTR2A (1.00) HTR2AHTR2CKCNH2
SCHEMBL3143258 0.76 HTR2A (0.62) HTR2AHTR2CKCNH2TMEM97KMT2A
SCHEMBL4848833 0.75 HTR2A (0.63) HTR2AHTR2CTHRBDRD2KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008054748-A2 INDAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-05-08 WO claimed
WO-2008054748-A2 INDAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-05-08 WO disclosed
WO-2008054748-A2 INDAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-05-08 WO disclosed