SCHEMBL9432802

SCHEMBL9432802

O=c1[nH]c2cnccc2n(C2CC2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.49
OPRM1 P35372 6/20 0.49
OPRD1 P41143 5/20 0.49
OPRK1 P41145 5/20 0.49
TNKS O95271 6/20 0.47
TNKS2 Q9H2K2 1/20 0.47
DAO P14920 1/20 0.42
METAP2 P50579 1/20 0.41
DRD2 P14416 1/20 0.40
KCNH2 Q12809 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL6215045 0.84 TNKS (0.60) OPRL1OPRM1OPRK1TNKSTNKS2
SCHEMBL23952719 0.79 TNKS (0.55) OPRL1OPRM1OPRK1TNKSTNKS2
SCHEMBL15289137 0.78 TNKS (0.54) OPRL1OPRM1OPRK1TNKSTNKS2
SCHEMBL16456311 0.78 TNKS (0.57) OPRM1TNKSTNKS2DRD2KCNH2
SCHEMBL16455972 0.78 TNKS (0.57) OPRM1TNKSTNKS2DRD2KCNH2
SCHEMBL2217118 0.78 OPRM1 (0.74) OPRL1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL16444409 0.77 TNKS (0.53) OPRL1OPRM1OPRK1TNKSTNKS2
Hydrochloric Acid SCHEMBL16444410 0.77 TNKS (0.53) OPRL1OPRM1OPRK1TNKSTNKS2
SCHEMBL6161469 0.77 TNKS (0.55) OPRL1OPRM1OPRK1TNKSTNKS2
SCHEMBL13081097 0.75 DRD2 (0.54) OPRL1OPRM1OPRK1TNKSTNKS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5281589-A Pharmaceuticals CHEIL FOODS & CHEMICALS, INC. (KR) 1994-01-25 US disclosed
WO-1992022556-A1 NOVEL 3-FUSED PYRIDINIUMMETHYL CEPHALOSPORINS CHEIL FOODS & CHEMICALS, INC. (KR) 1992-12-23 WO disclosed