SCHEMBL8304328

SCHEMBL8304328

CCC[C@H](N)C(=O)NNC(=O)NCC(=O)N[C@@H](Cc1cccc(OC)c1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.45
OPRM1 P35372 7/20 0.45
F2 P00734 2/20 0.44
F7 P08709 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
POLB P06746 1/20 0.41
ANPEP P15144 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL14046858 0.93 F2 (0.46) OPRD1OPRM1F2F7POLB
SCHEMBL4676390 0.83 KISS1R (0.47) OPRD1OPRM1POLB
SCHEMBL4681199 0.83 KISS1R (0.47) OPRD1OPRM1POLB
SCHEMBL4679658 0.83 KISS1R (0.43) POLB
SCHEMBL4677374 0.83 KISS1R (0.43) POLB
SCHEMBL4676002 0.78 KISS1R (0.48) POLB
SCHEMBL4675968 0.78 KISS1R (0.48) POLB
SCHEMBL4677507 0.76 KISS1R (0.43) POLBANPEP
SCHEMBL4677696 0.76 KISS1R (0.43) POLBANPEP
SCHEMBL14144502 0.75 OPRD1 (0.51) OPRD1OPRM1OPRK1

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-1975153-A2 Protease inhibitors Prozymex A/S (DK) 2008-10-01 EP disclosed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO disclosed