SCHEMBL4784566

SCHEMBL4784566

COc1cccc2c(C(=O)N3CCN(CC(=O)c4ccc(F)cc4)CC3)n[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.62
HTR2C P28335 9/20 0.60
KCNH2 Q12809 2/20 0.52
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4797482 0.84 HTR2A (0.62) HTR2AHTR2CKCNH2ALDH1A1CYP1A2
SCHEMBL4781280 0.81 HTR2A (0.66) HTR2AHTR2CKCNH2ALDH1A1MAPT
SCHEMBL14205208 0.80 HTR2A (0.61) HTR2AHTR2CKCNH2
SCHEMBL4783291 0.80 HTR2A (0.61) HTR2AHTR2CKCNH2ALDH1A1KDM4E
SCHEMBL4781852 0.77 HTR2A (0.66) HTR2AHTR2CKCNH2ALDH1A1TSHR
SCHEMBL3139699 0.77 HTR2A (0.80) HTR2AHTR2CKCNH2ALDH1A1TSHR
SCHEMBL4784431 0.77 HTR2A (0.66) HTR2AHTR2CKCNH2ALDH1A1TSHR
SCHEMBL3134467 0.77 HTR2A (1.00) HTR2AHTR2CKCNH2ALDH1A1TSHR
SCHEMBL4782575 0.76 HTR2A (0.65) HTR2AHTR2CKCNH2ALDH1A1TSHR
SCHEMBL4783248 0.76 HTR2A (0.67) HTR2AHTR2CKCNH2MAPT

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