SCHEMBL5138359

SCHEMBL5138359

[C-]#[N+]c1ccc2c(c1)c(C1=CCN(C3Cc4cccc5cccc3c45)CC1)cn2CC(O)CN(C)C

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.64
OPRM1 P35372 9/20 0.64
OPRK1 P41145 3/20 0.33

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
SCHEMBL4871637 0.82 OPRL1 (0.55) OPRL1OPRM1OPRK1
SCHEMBL4871631 0.82 OPRL1 (0.55) OPRL1OPRM1OPRK1
SCHEMBL14305540 0.78 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL14305526 0.78 OPRL1 (0.83) OPRL1OPRM1
SCHEMBL4877078 0.76 OPRL1 (0.68) OPRL1OPRM1OPRK1
SCHEMBL14280708 0.70 OPRL1 (0.64) OPRL1OPRM1OPRK1
SCHEMBL14305528 0.69 OPRL1 (0.72) OPRL1OPRM1OPRK1
SCHEMBL14280693 0.69 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL14530065 0.67 OPRM1 (0.53) OPRL1OPRM1OPRK1
SCHEMBL4871619 0.63 OPRL1 (1.00) OPRL1OPRM1OPRK1

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-1945213-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-23 EP disclosed
WO-2007050381-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-03 WO disclosed