SCHEMBL7848013

SCHEMBL7848013

NCCCCCC(N)c1nc2ccccc2n1C1CCN(C2(c3ccccc3)CCCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.42
OPRL1 P41146 14/20 0.42
OPRK1 P41145 12/20 0.42
OPRD1 P41143 8/20 0.42
OGFRL1 Q5TC84 4/20 0.41
TP53 P04637 1/20 0.40
KCNH2 Q12809 2/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CYP2B6 P20813 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
PRCP P42785 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
Ammonia Solution, Strong SCHEMBL7091412 0.91 OPRM1 (0.44) OPRM1OPRL1OPRK1OPRD1OGFRL1
Ammonia Solution, Strong SCHEMBL7091921 0.91 OPRM1 (0.44) OPRM1OPRL1OPRK1OPRD1OGFRL1
Ammonia Solution, Strong SCHEMBL7093777 0.90 OPRM1 (0.45) OPRM1OPRL1OPRK1OPRD1OGFRL1
Ammonia Solution, Strong SCHEMBL7095859 0.87 OPRM1 (0.47) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL7094878 0.81 OPRM1 (0.45) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL7091605 0.81 TP53 (0.53) OPRM1OPRL1OPRK1OPRD1OGFRL1
Ammonia Solution, Strong SCHEMBL7094452 0.81 TP53 (0.48) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL7091288 0.78 OPRM1 (0.43) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL7094475 0.77 OPRM1 (0.49) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL7095434 0.77 OPRM1 (0.49) OPRM1OPRL1OPRK1OPRD1OGFRL1

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
EP-1102762-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER INC. (US) 2001-05-30 EP disclosed
WO-2000008013-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2000-02-17 WO disclosed