SCHEMBL4780625

SCHEMBL4780625

Cn1nc(C(=O)N2CCN(CCc3cccc(F)c3)CC2)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.64
DRD2 P14416 2/20 0.57
HTR2C P28335 4/20 0.48
SLC6A3 Q01959 1/20 0.48
RBP4 P02753 1/20 0.48
GRM2 Q14416 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FAAH O00519 1/20 0.43
OPRM1 P35372 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
SCHEMBL14205784 0.89 HTR2A (0.63) HTR2ADRD2HTR2CRBP4MEN1
SCHEMBL4781253 0.89 HTR2A (0.61) HTR2ADRD2HTR2CRBP4MEN1
SCHEMBL4784635 0.85 HTR2A (0.67) HTR2ADRD2HTR2CKCNH2
SCHEMBL4782835 0.82 HTR2A (0.64) HTR2ADRD2HTR2CRBP4GRM2
SCHEMBL4848833 0.82 HTR2A (0.63) HTR2ADRD2HTR2CRBP4MEN1
SCHEMBL27249713 0.80 HTR2A (0.66) HTR2ADRD2RBP4MEN1KMT2A
SCHEMBL29573378 0.78 HTR2A (0.78) HTR2AHTR2CSLC6A3KCNH2ALDH1A1
SCHEMBL29573813 0.78 HTR2A (1.00) HTR2AHTR2CSLC6A3KCNH2
SCHEMBL3130316 0.78 HTR2A (1.00) HTR2AHTR2CSLC6A3KCNH2
SCHEMBL3139382 0.78 HTR2A (0.78) HTR2AHTR2CSLC6A3KCNH2ALDH1A1

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