SCHEMBL4781253

SCHEMBL4781253

Cn1nc(C(=O)N2CCN(CCc3ccc(F)cc3)CC2)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.61
DRD2 P14416 2/20 0.61
HTR2C P28335 4/20 0.61
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
RBP4 P02753 1/20 0.50
PRKAA2 P54646 1/20 0.50
DRD4 P21917 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR1D P28221 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR7 P34969 1/20 0.48
HTR2B P41595 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 1/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL4848833 0.89 HTR2A (0.63) HTR2ADRD2HTR2CPTGS1PTGS2
SCHEMBL4781375 0.89 PTGS1 (0.58) HTR2ADRD2HTR2CPTGS1PTGS2
SCHEMBL4780625 0.89 HTR2A (0.64) HTR2ADRD2HTR2CPTGS1PTGS2
SCHEMBL4783828 0.85 HTR2A (0.62) HTR2ADRD2HTR2CTMEM97MEN1
SCHEMBL4784635 0.85 HTR2A (0.67) HTR2ADRD2HTR2CKCNH2
SCHEMBL4782835 0.85 HTR2A (0.64) HTR2ADRD2HTR2CRBP4MEN1
SCHEMBL4784011 0.84 HTR2A (0.66) HTR2ADRD2HTR2CRBP4KCNH2
SCHEMBL4782110 0.83 HTR2A (0.54) HTR2ADRD2HTR2CPRKAA2DRD4
SCHEMBL14205776 0.83 HTR2A (0.56) HTR2ADRD2HTR2CPTGS1PTGS2
SCHEMBL14205784 0.83 HTR2A (0.63) HTR2ADRD2HTR2CRBP4SIGMAR1

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