SCHEMBL4781375

SCHEMBL4781375

CCn1nc(C(=O)N2CCN(CCc3ccc(F)cc3)CC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
HTR2A P28223 10/20 0.58
HTR2C P28335 4/20 0.58
TMEM97 Q5BJF2 2/20 0.50
RBP4 P02753 1/20 0.49
DRD2 P14416 2/20 0.48
PRKAA2 P54646 1/20 0.48
KDM4E B2RXH2 1/20 0.47
DRD4 P21917 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR1D P28221 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR7 P34969 1/20 0.46
HTR2B P41595 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4781253 0.89 HTR2A (0.61) PTGS1PTGS2HTR2AHTR2CTMEM97
SCHEMBL4782758 0.84 HTR2A (0.60) PTGS1PTGS2HTR2AHTR2CRBP4
SCHEMBL4783543 0.78 HTR2A (0.58) PTGS1PTGS2HTR2AHTR2CDRD2
SCHEMBL4848833 0.78 HTR2A (0.63) PTGS1PTGS2HTR2AHTR2CRBP4
SCHEMBL4780625 0.78 HTR2A (0.64) PTGS1PTGS2HTR2AHTR2CRBP4
SCHEMBL4783828 0.77 HTR2A (0.62) HTR2AHTR2CTMEM97DRD2MEN1
SCHEMBL4782359 0.77 NPC1 (0.57) HTR2AHTR2CTMEM97RBP4DRD2
SCHEMBL5099895 0.76 HTR2A (0.55) PTGS1PTGS2HTR2AHTR2CTMEM97
SCHEMBL22825349 0.75 HTR2A (0.76) HTR2AHTR2CTMEM97PRKAA2KCNH2
SCHEMBL3135392 0.75 HTR2A (0.71) HTR2AHTR2CTMEM97PRKAA2KCNH2

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