SCHEMBL4298027

SCHEMBL4298027

CN(C(=O)C1CCCCC1)[C@]1(c2ccccc2)CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.42
OPRM1 P35372 11/20 0.42
OPRK1 P41145 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL7314223 0.86 OPRL1 (0.48) OPRL1OPRM1OPRK1
SCHEMBL4352116 0.82 OPRL1 (0.63) OPRL1OPRM1OPRK1
SCHEMBL7312540 0.79 OPRM1 (0.51) OPRL1OPRM1OPRK1
SCHEMBL4004182 0.79 HTT (0.40) OPRL1OPRM1CHRM3
SCHEMBL4005230 0.77 ALDH1A1 (0.38)
SCHEMBL4005563 0.76 LMNA (0.34) OPRL1OPRM1CHRM3
SCHEMBL7745677 0.75 ALDH1A1 (0.38) OPRL1OPRM1OPRK1
SCHEMBL4007004 0.74 PTGIR (0.34) OPRL1OPRM1
SCHEMBL7313593 0.73 CACNA1G (0.53) OPRL1CHRM3
SCHEMBL4006087 0.71 SSTR4 (0.54) OPRL1OPRM1

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-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed