SCHEMBL6594532

SCHEMBL6594532

Clc1nc2ccccc2n1C1CCN(CC2CCCCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.54
OPRK1 P41145 10/20 0.54
OPRL1 P41146 8/20 0.54
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
CYP2D6 P10635 1/20 0.46
CCR5 P51681 1/20 0.46
OPRD1 P41143 7/20 0.46
OGFRL1 Q5TC84 7/20 0.46
TP53 P04637 1/20 0.44

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
SCHEMBL6595311 1.00 OPRM1 (0.54) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL6594414 1.00 OPRM1 (0.54) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL6598052 0.99 OPRM1 (0.52) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL6593964 0.83 KCNH2 (0.52) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL1128699 0.82 TP53 (0.56) OPRM1OPRK1OPRL1OPRD1OGFRL1
SCHEMBL16128186 0.81 OPRM1 (0.50) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL16127695 0.81 OPRL1 (0.53) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL16128171 0.81 OPRL1 (0.53) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL16127694 0.81 OPRL1 (0.53) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL6593749 0.81 OPRM1 (0.53) OPRM1OPRK1OPRL1DRD2DRD4

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 3 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
US-6340681-B1 USEFUL AS ANALGESICS IN MAMMALS PFIZER INC 2002-01-22 US disclosed
EP-1069124-A1 2-Benzimidazolylamine compounds as ORL1-receptor agonists PFIZER INC. (US) 2001-01-17 EP disclosed