SCHEMBL4784635

SCHEMBL4784635

Cn1nc(C(=O)N2CCN(CCc3ccc(F)cc3F)CC2)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.67
HTR2C P28335 16/20 0.67
DRD2 P14416 2/20 0.57
KCNH2 Q12809 1/20 0.53

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
SCHEMBL4782835 0.90 HTR2A (0.64) HTR2AHTR2CDRD2
SCHEMBL14205780 0.88 HTR2A (0.55) HTR2AHTR2CDRD2KCNH2
SCHEMBL4784178 0.87 HTR2A (0.66) HTR2AHTR2CKCNH2
SCHEMBL4781253 0.85 HTR2A (0.61) HTR2AHTR2CDRD2KCNH2
SCHEMBL4854500 0.85 HTR2A (0.58) HTR2AHTR2CKCNH2
SCHEMBL4780625 0.85 HTR2A (0.64) HTR2AHTR2CDRD2KCNH2
SCHEMBL4783869 0.81 HTR2A (0.68) HTR2AHTR2CDRD2KCNH2
SCHEMBL27249713 0.79 HTR2A (0.66) HTR2ADRD2
SCHEMBL4784011 0.78 HTR2A (0.66) HTR2AHTR2CDRD2KCNH2
SCHEMBL14205784 0.78 HTR2A (0.63) HTR2AHTR2CDRD2KCNH2

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 1 patent. 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 disclosed