SCHEMBL6598052

SCHEMBL6598052

Clc1nc2ccccc2n1C1CCN(CC2CCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.52
OPRL1 P41146 8/20 0.52
OPRK1 P41145 8/20 0.52
CYP2D6 P10635 1/20 0.47
CCR5 P51681 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
OPRD1 P41143 6/20 0.44
OGFRL1 Q5TC84 5/20 0.44
TP53 P04637 1/20 0.42

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
SCHEMBL6594414 0.99 OPRM1 (0.54) OPRM1OPRL1OPRK1CYP2D6CCR5
SCHEMBL6594532 0.99 OPRM1 (0.54) OPRM1OPRL1OPRK1CYP2D6CCR5
SCHEMBL6595311 0.99 OPRM1 (0.54) OPRM1OPRL1OPRK1CYP2D6CCR5
SCHEMBL1128699 0.83 TP53 (0.56) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL6593964 0.82 KCNH2 (0.52) OPRM1OPRL1OPRK1CYP2D6CCR5
SCHEMBL6593749 0.82 OPRM1 (0.53) OPRM1OPRL1OPRK1CYP2D6CCR5
SCHEMBL2635863 0.80 SMN1; SMN2 (0.53) OPRM1OPRL1OPRK1CYP2D6CCR5
SCHEMBL16128186 0.80 OPRM1 (0.50) OPRM1OPRL1OPRK1CYP2D6CCR5
SCHEMBL16127694 0.80 OPRL1 (0.53) OPRM1OPRL1OPRK1CYP2D6CCR5
SCHEMBL16127695 0.80 OPRL1 (0.53) OPRM1OPRL1OPRK1CYP2D6CCR5

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-1069124-B1 2-Benzimidazolylamine compounds as ORL1-receptor agonists PFIZER (US) 2004-05-12 EP disclosed
EP-1069124-A1 2-Benzimidazolylamine compounds as ORL1-receptor agonists PFIZER INC. (US) 2001-01-17 EP disclosed