SCHEMBL4783355

SCHEMBL4783355

COc1ccc2c(C(=O)N3CCN(CC(=O)c4ccc(F)cc4)CC3)nn(C)c2c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.60
HTR2C P28335 9/20 0.60
KCNH2 Q12809 2/20 0.56
DRD2 P14416 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
SCHEMBL4780094 0.87 HTR2A (0.67) HTR2AHTR2CKCNH2
SCHEMBL4784011 0.84 HTR2A (0.66) HTR2AHTR2CKCNH2DRD2
SCHEMBL4780999 0.84 HTR2A (0.59) HTR2AHTR2CKCNH2
SCHEMBL4783291 0.82 HTR2A (0.61) HTR2AHTR2CKCNH2
SCHEMBL14205208 0.80 HTR2A (0.61) HTR2AHTR2CKCNH2
SCHEMBL4783543 0.75 HTR2A (0.58) HTR2AHTR2CKCNH2DRD2
SCHEMBL3138814 0.75 HTR2A (0.77) HTR2AHTR2CKCNH2
SCHEMBL4784514 0.75 HTR2A (0.58) HTR2AHTR2CKCNH2
SCHEMBL3143430 0.75 HTR2A (1.00) HTR2AHTR2CKCNH2
SCHEMBL4782758 0.75 HTR2A (0.60) HTR2AHTR2CKCNH2

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
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