SCHEMBL6473906

SCHEMBL6473906

C[C@H]1CN(CC2Cc3c(Br)ccc(O)c3CN2)CC[C@@]12CNc1ncccc12

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.53
OPRM1 P35372 6/20 0.53
KCNH2 Q12809 5/20 0.53
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL6500956 0.76 KCNH2 (0.66) OPRL1OPRM1KCNH2
SCHEMBL6500952 0.76 KCNH2 (0.66) OPRL1OPRM1KCNH2
SCHEMBL6472419 0.71 OPRL1 (0.66) OPRL1OPRM1KCNH2
SCHEMBL6472418 0.71 OPRL1 (0.66) OPRL1OPRM1KCNH2
SCHEMBL6504432 0.62 KCNH2 (0.67) OPRL1OPRM1KCNH2
SCHEMBL6506705 0.62 KCNH2 (0.67) OPRL1OPRM1KCNH2
SCHEMBL6471905 0.60 OPRL1 (0.55) OPRL1OPRM1KCNH2
SCHEMBL6501770 0.60 OPRL1 (0.70) OPRL1OPRM1KCNH2
SCHEMBL6471908 0.60 OPRL1 (0.55) OPRL1OPRM1KCNH2
SCHEMBL6471078 0.59 OPRL1 (1.00) OPRL1OPRM1KCNH2

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-2005016913-A1 TETRAHYDROISOQUINOLINE OR ISOCHROMAN COMPOUNDS AS ORL-1 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AND CNS DISORDERS PFIZER JAPAN, INC. (JP) 2005-02-24 WO disclosed