SCHEMBL2574907

SCHEMBL2574907

CC(N)C(=O)NCC(=O)NC([C]=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.50
OPRD1 P41143 7/20 0.48
OPRM1 P35372 4/20 0.48
OPRK1 P41145 1/20 0.48
CTSC P53634 4/20 0.48
TERT O14746 1/20 0.44
ACE P12821 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL2574911 1.00 CTRB1 (0.50) CTRB1OPRD1OPRM1OPRK1CTSC
SCHEMBL2498852 0.97 CTRB1 (0.48) CTRB1OPRD1OPRM1OPRK1CTSC
SCHEMBL4086489 0.89 OPRD1 (0.46) CTRB1OPRD1OPRM1OPRK1CTSC
SCHEMBL9143156 0.86 CTRB1 (0.61) CTRB1CTSCNPC1RAB9A
SCHEMBL7316156 0.86 CTRB1 (0.61) CTRB1CTSCNPC1RAB9A
SCHEMBL27602044 0.86 CTRB1 (0.61) CTRB1CTSCNPC1RAB9A
SCHEMBL7316163 0.86 CTRB1 (0.61) CTRB1CTSCNPC1RAB9A
SCHEMBL11863638 0.83 CTSC (0.62) CTSCTERTNPC1RAB9A
SCHEMBL11863650 0.83 CTSC (0.62) CTSCTERTNPC1RAB9A
SCHEMBL238636 0.82 OPRD1 (0.74) 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-2384334-A1 A METHOD OF PRODUCING A NOVEL OPIOID PEPTIDE Action For Development Of Resarch SP.Z.O.O. (PL) 2011-11-09 EP disclosed
WO-2010077154-A1 A METHOD OF PRODUCING A NOVEL OPIOID PEPTIDE ACTION FOR DEVELOPMENT OF RESARCH SP.Z.O.O. (PL) 2010-07-08 WO disclosed