SCHEMBL3814747

SCHEMBL3814747

O=CC(Cl)N1CCC(O)(Cc2ccc(F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
SSTR5 P35346 1/20 0.38
GRIN2B Q13224 10/20 0.38
GRIN2D O15399 6/20 0.38
GRIN3B O60391 6/20 0.38
ADRA1A P35348 6/20 0.38
GRIN1 Q05586 6/20 0.38
GRIN2A Q12879 6/20 0.38
GRIN2C Q14957 6/20 0.38
GRIN3A Q8TCU5 6/20 0.38
ADRA1D P25100 4/20 0.38
ADRA1B P35368 4/20 0.38
CYP46A1 Q9Y6A2 1/20 0.36
KCNH2 Q12809 1/20 0.36
UTS2R Q9UKP6 1/20 0.36

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
SCHEMBL5317298 0.80 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1SSTR5
SCHEMBL14840627 0.79 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1SSTR5
SCHEMBL20147416 0.79 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1SSTR5
SCHEMBL5314043 0.78 PPARG (0.43) OPRM1OPRD1OPRK1OPRL1SSTR5
SCHEMBL20147864 0.76 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1SSTR5
SCHEMBL27967465 0.74 CYP46A1 (0.48) OPRM1OPRD1OPRK1OPRL1SSTR5
SCHEMBL28914608 0.74 OPRL1 (0.43) OPRM1OPRD1OPRK1OPRL1SSTR5
SCHEMBL13231734 0.73 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1SSTR5
SCHEMBL4634537 0.73 CYP46A1 (0.50) OPRM1OPRD1OPRK1OPRL1SSTR5
SCHEMBL6810808 0.72 GRIN2B (0.47) OPRM1GRIN2BGRIN1

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
EP-1931348-A4 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2009-08-12 EP disclosed
EP-1931348-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE ChemoCentryx Inc (US) 2008-06-18 EP disclosed
WO-2007022257-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-02-22 WO disclosed