SCHEMBL21338056

SCHEMBL21338056

C=C1CCC2CCc3ccc(O)c4c3[C@@]2(CCNCC2CC2)C1O4

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.40
OPRM1 P35372 8/20 0.40
OPRK1 P41145 6/20 0.40
NR1I2 O75469 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP2D6 P10635 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
CHRNA7 P36544 1/20 0.33
CYP1A2 P05177 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL21023522 0.78 OPRM1 (0.46) OPRD1OPRM1OPRK1NR1I2KCNH2
SCHEMBL21338058 0.78 OPRM1 (0.46) OPRD1OPRM1OPRK1NR1I2KCNH2
SCHEMBL17696682 0.69 OPRD1 (0.42) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL20170829 0.68 OPRD1 (0.46) OPRD1OPRM1OPRK1SIGMAR1
SCHEMBL20170682 0.66 OPRM1 (0.39) OPRD1OPRM1OPRK1CYP2D6SIGMAR1
SCHEMBL21023520 0.65 OPRM1 (0.35) OPRD1OPRM1OPRK1
SCHEMBL18056759 0.65 OPRM1 (0.54) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL13707246 0.64 OPRM1 (0.49) OPRD1OPRM1OPRK1
SCHEMBL15250867 0.64 OPRM1 (0.41) OPRD1OPRM1OPRK1CYP2D6CTDSP1
SCHEMBL18104558 0.64 OPRM1 (0.44) OPRD1OPRM1OPRK1NR1I2KCNH2

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-3019500-B1 NALMEFENE SALTS AS MEDICAMENTS FOR REDUCING ALCOHOL CONSUMPTION OR FOR PREVENTING EXCESSIVE ALCOHOL CONSUMPTION H LUNDBECK AS (DK) 2019-09-11 EP disclosed