SCHEMBL4783543

SCHEMBL4783543

CCCn1nc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.58
HTR2C P28335 10/20 0.58
KCNH2 Q12809 2/20 0.57
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DRD2 P14416 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
SCHEMBL4782758 0.92 HTR2A (0.60) HTR2AHTR2CKCNH2PTGS1PTGS2
SCHEMBL4784011 0.88 HTR2A (0.66) HTR2AHTR2CKCNH2KDM4EALDH1A1
SCHEMBL4784514 0.85 HTR2A (0.58) HTR2AHTR2CKCNH2PTGS1PTGS2
SCHEMBL4783108 0.83 HTR2A (0.57) HTR2AHTR2CKCNH2PTGS1PTGS2
SCHEMBL4781251 0.80 HTR2A (0.52) HTR2AHTR2CKCNH2PTGS1PTGS2
SCHEMBL4784747 0.79 HTR2A (0.52) HTR2AHTR2CKCNH2PTGS1PTGS2
SCHEMBL14205207 0.78 HTR2A (0.56) HTR2AHTR2CKCNH2ALDH1A1TSHR
SCHEMBL4781375 0.78 PTGS1 (0.58) HTR2AHTR2CKCNH2PTGS1PTGS2
SCHEMBL4780094 0.77 HTR2A (0.67) HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL4781280 0.75 HTR2A (0.66) HTR2AHTR2CKCNH2ALDH1A1TSHR

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