SCHEMBL16084076

SCHEMBL16084076

OC1CCC(C2(O)CCNCC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL3052069 0.91 MAPT (0.33) OPRM1OPRK1OPRL1
SCHEMBL16927480 0.81 MAPT (0.35) OPRM1OPRK1OPRL1
SCHEMBL18065630 0.80 MAPT (0.40)
SCHEMBL7796963 0.79 OPRM1 (0.39) OPRM1OPRK1OPRL1
SCHEMBL15978065 0.78 TSHR (0.38) OPRM1OPRK1OPRL1
SCHEMBL18084817 0.76 MAPT (0.35) OPRM1OPRK1OPRL1
SCHEMBL20911099 0.76
SCHEMBL16084062 0.76 ESR2 (0.33)
SCHEMBL10039717 0.75 GABRA1 (0.35)
Hydrochloric Acid SCHEMBL25311167 0.74 MAPT (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
WO-2014139325-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed