SCHEMBL727886

SCHEMBL727886

COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)c2nnn[nH]2)nn1-c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 5/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
APLNR P35414 3/20 0.48
PTGS2 P35354 5/20 0.46

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
SCHEMBL727352 0.84 APLNR (0.49) NTSR1APLNRPTGS2
SCHEMBL729311 0.84 NTSR1 (0.73) NTSR1OPRM1OPRD1
SCHEMBL17114560 0.75 PTGS2 (0.46) NTSR1OPRM1OPRD1APLNRPTGS2
SCHEMBL17114525 0.74 MARS1 (0.51) NTSR1OPRM1OPRD1PTGS2
SCHEMBL8589311 0.73 NTSR1 (0.44) NTSR1OPRM1OPRD1PTGS2
SCHEMBL17114648 0.73 APLNR (0.56) NTSR1OPRM1OPRD1APLNR
SCHEMBL17114647 0.73 APLNR (0.56) NTSR1OPRM1OPRD1APLNR
SCHEMBL727595 0.72 NTSR1 (0.74) NTSR1OPRM1OPRD1
SCHEMBL727351 0.71 NTSR1 (0.75) NTSR1OPRM1OPRD1
SCHEMBL8295919 0.70 NTSR1 (0.59) NTSR1APLNRPTGS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011156557-A2 COMPOUNDS ACTIVE AT THE NEUROTENSIN RECEPTOR THOMAS JAMES B (US) 2011-12-15 WO disclosed