SCHEMBL2395090

SCHEMBL2395090

CCC[C@]1(O)CCN(C(=O)O)[C@@]1(C)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
AVPR1A P37288 1/20 0.35
LMNA P02545 1/20 0.35
NR3C1 P04150 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
SCHEMBL1643462 0.82 OPRM1 (0.39) OPRM1OPRL1OPRD1OPRK1AVPR1A
SCHEMBL2393740 0.76 TRPA1 (0.38) OPRM1OPRL1
SCHEMBL2390992 0.76 KDM4E (0.37)
SCHEMBL2390648 0.76 OPRM1 (0.37) OPRM1OPRL1OPRD1OPRK1AVPR1A
SCHEMBL28665811 0.71
SCHEMBL2395154 0.69 OPRM1 (0.39) OPRM1OPRL1OPRD1OPRK1AVPR1A
SCHEMBL2435264 0.69 CYP2D6 (0.35) OPRM1OPRL1OPRD1OPRK1AVPR1A
SCHEMBL1317731 0.68
SCHEMBL2208903 0.68 ALDH1A1 (0.40) OPRM1OPRL1
SCHEMBL2210148 0.68 ALDH1A1 (0.40) OPRM1OPRL1

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-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed