SCHEMBL21337571

SCHEMBL21337571

C=C(CC)N(CC1(N2CCN(CC(C)C)CC2)CCOCC1)c1cccc(C(F)(F)F)n1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.81
SIGMAR1 Q99720 19/20 0.81
KCNH2 Q12809 7/20 0.65

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
SCHEMBL18426684 0.90 OPRM1 (1.00) OPRM1SIGMAR1KCNH2
SCHEMBL20599036 0.88 OPRM1 (0.84) OPRM1SIGMAR1KCNH2
SCHEMBL20598836 0.84 OPRM1 (0.83) OPRM1SIGMAR1KCNH2
SCHEMBL20599083 0.83 OPRM1 (0.88) OPRM1SIGMAR1KCNH2
SCHEMBL18458752 0.82 OPRM1 (0.85) OPRM1SIGMAR1KCNH2
SCHEMBL18426622 0.82 OPRM1 (0.85) OPRM1SIGMAR1KCNH2
SCHEMBL21327053 0.80 OPRM1 (0.82) OPRM1SIGMAR1KCNH2
SCHEMBL20598997 0.80 OPRM1 (0.79) OPRM1SIGMAR1KCNH2
SCHEMBL20599137 0.80 OPRM1 (0.92) OPRM1SIGMAR1KCNH2
SCHEMBL18458978 0.80 SIGMAR1 (0.82) OPRM1SIGMAR1KCNH2

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-3328853-B1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-09-11 EP disclosed