SCHEMBL19852490

SCHEMBL19852490

CC[C@H]1COC2(CCN(C[C@H]3CCc4ccccc43)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.39
OPRM1 P35372 2/20 0.39
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 5/20 0.36
HSD11B1 P28845 1/20 0.36
HTR1A P08908 1/20 0.35

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
SCHEMBL19852493 1.00 OPRL1 (0.39) OPRL1OPRM1KCNH2SIGMAR1HSD11B1
SCHEMBL21071570 0.83 SIGMAR1 (0.41) OPRL1OPRM1SIGMAR1HSD11B1HTR1A
SCHEMBL19838621 0.83 SIGMAR1 (0.41) OPRL1OPRM1SIGMAR1HSD11B1HTR1A
SCHEMBL21071634 0.83 SIGMAR1 (0.41) OPRL1OPRM1SIGMAR1HSD11B1HTR1A
SCHEMBL21071569 0.83 SIGMAR1 (0.41) OPRL1OPRM1SIGMAR1HSD11B1HTR1A
SCHEMBL21071454 0.83 SIGMAR1 (0.41) OPRL1OPRM1SIGMAR1HSD11B1HTR1A
SCHEMBL19852495 0.83 SIGMAR1 (0.41) OPRL1OPRM1SIGMAR1HSD11B1HTR1A
SCHEMBL21071451 0.83 SIGMAR1 (0.41) OPRL1OPRM1SIGMAR1HSD11B1HTR1A
SCHEMBL21071954 0.81 HTR7 (0.40) OPRL1OPRM1SIGMAR1HSD11B1HTR1A
SCHEMBL21071936 0.81 HTR7 (0.40) OPRL1OPRM1SIGMAR1HSD11B1HTR1A

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
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed