Trifluoroacetic Acid

SCHEMBL10872896

N=C(N)NCCC[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	2/20	0.55

▸	OPRM1	P35372	4/20	0.48

▸	OPRD1	P41143	2/20	0.48

▸	OPRK1	P41145	1/20	0.48

▸	PRSS1	P07477	1/20	0.46

▸	DPP4	P27487	1/20	0.46

▸	FAP	Q12884	1/20	0.46

▸	DPP8	Q6V1X1	1/20	0.46

▸	DPP9	Q86TI2	1/20	0.46

▸	DPP7	Q9UHL4	1/20	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.

Compound	similarity	top predicted	shared targets
SCHEMBL10722838	0.96	OPRM1 (0.51)	F2OPRM1OPRD1OPRK1DPP4
SCHEMBL2778544	0.85	F2 (0.57)	F2OPRM1OPRD1OPRK1
SCHEMBL2778546	0.85	F2 (0.57)	F2OPRM1OPRD1OPRK1
SCHEMBL2119635	0.85	F2 (0.57)	F2OPRM1OPRD1OPRK1
SCHEMBL6850160	0.85	F2 (0.57)	F2OPRM1OPRD1OPRK1
SCHEMBL6497247	0.85	F2 (0.57)	F2OPRM1OPRD1OPRK1
SCHEMBL7343548	0.84	DPP4 (0.53)	F2OPRM1OPRD1OPRK1DPP4
SCHEMBL7343558	0.84	DPP4 (0.53)	F2OPRM1OPRD1OPRK1DPP4
SCHEMBL2192304	0.84	OPRM1 (0.49)	F2OPRM1OPRD1OPRK1DPP4
SCHEMBL7356276	0.84	F2 (0.57)	F2OPRM1OPRD1OPRK1PRSS1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0192135-A2	Oligopeptidylargininol derivatives and their homologues, process for their preparation, their use and agents containing them	BEHRINGWERKE Aktiengesellschaft (DE)	1986-08-27	—	—	EP	disclosed