SCHEMBL5750488

SCHEMBL5750488

CCOC(=O)ON1CCC(c2cn(Cc3ccoc3)c3ncccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.47
HTR2C P28335 4/20 0.47
HTR2B P41595 4/20 0.47
HRH2 P25021 3/20 0.42
CNR1 P21554 4/20 0.39
CNR2 P34972 4/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
ELANE P08246 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.36
EED O75530 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL5750915 0.89 HTR2A (0.46) HTR2AHTR2CHTR2BHRH2CNR1
SCHEMBL4054294 0.89 HTR2A (0.49) HTR2AHTR2CHTR2BHRH2OPRM1
SCHEMBL5749305 0.83 HTR2A (0.46) HTR2AHTR2CHTR2BHRH2ELANE
SCHEMBL5751422 0.82 HRH2 (0.46) HTR2AHTR2CHTR2BHRH2CNR1
SCHEMBL4054792 0.80 HTR2A (0.47) HTR2AHTR2CHTR2BHRH2OPRM1
SCHEMBL4054343 0.79 HTR2A (0.65) HTR2AHTR2CHTR2BHRH2ELANE
SCHEMBL6226186 0.77 GPR119 (0.43) HTR2AHTR2CHTR2BHRH2KMT2A
SCHEMBL4058326 0.77 HTR2A (0.43) HTR2AHTR2CHTR2BHRH2CNR1
SCHEMBL4053180 0.77 HTR2A (0.62) HTR2AHTR2CHTR2BHRH2KMT2A
SCHEMBL4060001 0.76 HTR2A (0.76) HTR2AHTR2CHTR2BHRH2CNR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497292-B1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-06-14 EP claimed