SCHEMBL6893935

SCHEMBL6893935

c1ccc2c(c1)nc1n2C2CC(C1)N(C1CCC1)C2

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 18/20 0.46
OPRM1 P35372 15/20 0.46
OPRK1 P41145 15/20 0.46
OPRD1 P41143 14/20 0.46
OPRL1 P41146 9/20 0.46

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
SCHEMBL10298617 0.82 PRKACA (0.46) OGFRL1OPRL1
SCHEMBL6895652 0.82 CYP11B2 (0.39) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL10298620 0.78 PRKACA (0.38) OGFRL1OPRL1
SCHEMBL6896120 0.77 USP30 (0.37)
SCHEMBL6895803 0.74 IDO1 (0.32) OGFRL1OPRL1
SCHEMBL6895933 0.72 DYRK1A (0.38)
SCHEMBL6196431 0.67 RPS6KB1 (0.58) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL21148134 0.67 RPS6KB1 (0.58) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL18250748 0.67 CCR5 (0.58) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL6198016 0.67 RPS6KB1 (0.58) OGFRL1OPRM1OPRK1OPRD1OPRL1

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-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed