SCHEMBL4782835

SCHEMBL4782835

Cn1nc(C(=O)N2CCN(CCc3ccccc3F)CC2)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.64
DRD2 P14416 2/20 0.58
HTR2C P28335 8/20 0.53
RBP4 P02753 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
GRM2 Q14416 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL4784635 0.90 HTR2A (0.67) HTR2ADRD2HTR2C
SCHEMBL4783869 0.87 HTR2A (0.68) HTR2ADRD2HTR2CRBP4MEN1
SCHEMBL4781253 0.85 HTR2A (0.61) HTR2ADRD2HTR2CRBP4MEN1
SCHEMBL27249713 0.83 HTR2A (0.66) HTR2ADRD2RBP4MEN1KMT2A
SCHEMBL4780625 0.82 HTR2A (0.64) HTR2ADRD2HTR2CRBP4MEN1
SCHEMBL4848833 0.80 HTR2A (0.63) HTR2ADRD2HTR2CRBP4MEN1
SCHEMBL14205784 0.79 HTR2A (0.63) HTR2ADRD2HTR2CRBP4MEN1
SCHEMBL27249712 0.78 DRD2 (0.60) HTR2ADRD2RBP4MEN1KMT2A
SCHEMBL29573907 0.78 HTR2A (1.00) HTR2AHTR2CMEN1KMT2AKDM4E
SCHEMBL3134283 0.78 HTR2A (1.00) HTR2AHTR2CMEN1KMT2AKDM4E

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