SCHEMBL2873306

SCHEMBL2873306

CC(C)CN1CCN(Cc2ccc(-c3cccc(CN4CCCCC4)c3F)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHKA P35790 3/20 0.52
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
HRH3 Q9Y5N1 10/20 0.43
HRH4 Q9H3N8 1/20 0.43
ALDH1A1 P00352 4/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2001267 0.79 CHKA (0.41) CHKACYP2D6CYP2C19OPRM1OPRK1
SCHEMBL1994800 0.72 HRH3 (0.41) CHKACYP2D6CYP2C19OPRM1OPRK1
SCHEMBL16121836 0.69 CHKA (1.00) CHKAALDH1A1KDM4EPOLB
SCHEMBL19367987 0.66 ALDH1A1 (0.59) CYP2D6CYP2C19HRH3ALDH1A1SMN1; SMN2
SCHEMBL16369593 0.65 OPRK1 (0.60) CYP2D6OPRM1OPRK1HRH3ALDH1A1
SCHEMBL30341108 0.65 ALDH1A1 (0.73) CYP2D6CYP2C19HRH3ALDH1A1HTT
SCHEMBL24582827 0.64 HRH3 (0.54) OPRM1OPRK1HRH3ALDH1A1
SCHEMBL19634159 0.64 ALDH1A1 (0.67) ALDH1A1HTTSMN1; SMN2KDM4EPOLB
SCHEMBL25816811 0.64 POLB (0.48) HRH3ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL8264510 0.64 ALDH1A1 (0.56) CYP2D6ALDH1A1SMN1; SMN2KDM4EPOLB

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
WO-2010063721-A1 1- (BIPHENYL-4-YLMETHYL) IMIDAZOLIDINE-2, 4-DIONE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR AGONISTS N.V. ORGANON (NL) 2010-06-10 WO disclosed