SCHEMBL728944

SCHEMBL728944

COc1cccc(OC)c1-c1cc(C(=O)N[C@H](c2nnn[nH]2)C2CCCCC2)nn1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 5/20 0.61
OPRM1 P35372 1/20 0.61
OPRD1 P41143 1/20 0.61
NTSR2 O95665 1/20 0.60
FPR3 P25089 1/20 0.60
GPR183 P32249 1/20 0.60
SORT1 Q99523 1/20 0.60

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
SCHEMBL18983298 0.87 NTSR1 (0.70) NTSR1OPRM1OPRD1NTSR2FPR3
SCHEMBL30741234 0.87 NTSR1 (0.70) NTSR1OPRM1OPRD1NTSR2FPR3
SCHEMBL729311 0.86 NTSR1 (0.73) NTSR1OPRM1OPRD1NTSR2FPR3
SCHEMBL727352 0.85 APLNR (0.49) NTSR1
SCHEMBL17114499 0.79 NTSR1 (0.71) NTSR1OPRM1OPRD1NTSR2FPR3
Methane SCHEMBL17114636 0.78 NTSR1 (0.63) NTSR1OPRM1OPRD1NTSR2FPR3
SCHEMBL729743 0.77 NTSR1 (0.70) NTSR1OPRM1OPRD1NTSR2FPR3
SCHEMBL8591555 0.76 NTSR1 (0.69) NTSR1OPRM1OPRD1NTSR2FPR3
SCHEMBL729750 0.76 NTSR1 (0.71) NTSR1OPRM1OPRD1NTSR2FPR3
SCHEMBL17114586 0.76 NTSR1 (0.74) NTSR1OPRM1OPRD1NTSR2FPR3

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