SCHEMBL20197002

SCHEMBL20197002

O=C[C@H]1CCCC[C@@H](OCCc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
G6PC1 P35575 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HSD17B3 P37058 1/20 0.36
EPHX2 P34913 1/20 0.36
OPRK1 P41145 2/20 0.36
OPRD1 P41143 1/20 0.36
ADORA2B P29275 1/20 0.36
FFAR4 Q5NUL3 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
SCHEMBL16838881 0.94 HSD17B3 (0.39) OPRM1L3MBTL1HSD17B3FFAR4
SCHEMBL7458158 0.84 OPRM1 (0.46) OPRM1TAAR1OPRK1OPRD1
SCHEMBL7455241 0.83 TAAR1 (0.46) OPRM1L3MBTL1TAAR1EPHX2OPRK1
SCHEMBL873249 0.83 TAAR1 (0.46) OPRM1L3MBTL1TAAR1EPHX2OPRK1
SCHEMBL987019 0.79 OPRM1 (0.48) OPRM1EPHX2
SCHEMBL16838885 0.79 OPRM1 (0.48) OPRM1EPHX2
Ether SCHEMBL2017378 0.78 L3MBTL1 (0.47) OPRM1L3MBTL1TAAR1HSD17B3OPRK1
SCHEMBL6527498 0.75 MEN1 (0.39) OPRM1
SCHEMBL21535464 0.75 OPRM1 (0.59) OPRM1OPRK1OPRD1
SCHEMBL5009548 0.73 CA1 (0.41) OPRM1TAAR1HSD17B3

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-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed