SCHEMBL20079835

SCHEMBL20079835

NC1C[C@H]2CCC[C@@H](C1)N2C1C[C@H]2CCCC[C@@H](C1)C2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 18/20 0.37
OPRL1 P41146 16/20 0.37
OPRK1 P41145 6/20 0.37
OPRM1 P35372 4/20 0.37
OPRD1 P41143 3/20 0.37
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL16743564 1.00 OGFRL1 (0.37) OGFRL1OPRL1OPRK1OPRM1OPRD1
SCHEMBL15858179 1.00 OGFRL1 (0.37) OGFRL1OPRL1OPRK1OPRM1OPRD1
SCHEMBL18086595 0.98 OGFRL1 (0.38) OGFRL1OPRL1OPRK1OPRM1OPRD1
SCHEMBL3046521 0.98 OGFRL1 (0.38) OGFRL1OPRL1OPRK1OPRM1OPRD1
SCHEMBL17389314 0.98 OGFRL1 (0.38) OGFRL1OPRL1OPRK1OPRM1OPRD1
SCHEMBL12436681 0.98 OGFRL1 (0.38) OGFRL1OPRL1OPRK1OPRM1OPRD1
SCHEMBL15847181 0.98 OGFRL1 (0.38) OGFRL1OPRL1OPRK1OPRM1OPRD1
SCHEMBL16743560 0.98 OGFRL1 (0.38) OGFRL1OPRL1OPRK1OPRM1OPRD1
SCHEMBL880919 0.94 OGFRL1 (0.35) OGFRL1OPRL1OPRK1OPRM1OPRD1
Acetic Acid SCHEMBL15466895 0.88 OGFRL1 (0.39) OGFRL1OPRL1OPRK1OPRM1OPRD1

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
US-9951038-B2 Quinazolin-4(3H)-one-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2018-04-24 US disclosed