Trifluoroacetic Acid

SCHEMBL30576699

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NCC(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	3/20	0.64

▸	OPRM1	P35372	2/20	0.64

▸	NPBWR1	P48145	7/20	0.55

▸	CCKBR	P32239	2/20	0.54

▸	KISS1R	Q969F8	3/20	0.53

▸	GHSR	Q92847	1/20	0.52

▸	ERAP2	Q6P179	3/20	0.52

▸	TACR1	P25103	1/20	0.52

▸	IL1RN	P18510	2/20	0.51

▸	ERAP1	Q9NZ08	2/20	0.51

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
SCHEMBL30576711	0.96	OPRM1 (0.68)	OPRD1OPRM1NPBWR1KISS1RGHSR
SCHEMBL30576704	0.96	OPRM1 (0.68)	OPRD1OPRM1NPBWR1KISS1RGHSR
SCHEMBL29376430	0.92	OPRM1 (0.61)	OPRD1OPRM1NPBWR1ERAP2IL1RN
SCHEMBL31228839	0.89	OPRM1 (0.70)	OPRD1OPRM1NPBWR1KISS1RERAP2
SCHEMBL30307309	0.89	OPRM1 (0.62)	OPRD1OPRM1NPBWR1ERAP2IL1RN
SCHEMBL29872607	0.87	OPRM1 (0.62)	OPRD1OPRM1ERAP2
SCHEMBL29794167	0.87	OPRM1 (0.62)	OPRD1OPRM1ERAP2
SCHEMBL30052459	0.87	ECE1 (0.61)	OPRD1OPRM1ERAP2IL1RNERAP1
SCHEMBL30169323	0.85	OPRM1 (0.62)	OPRD1OPRM1GHSR
SCHEMBL30051166	0.85	OPRM1 (0.64)	OPRD1OPRM1GHSR

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
WO-2023171671-A1	METHOD FOR PRODUCING CYCLIC AMIDE	国立大学法人東海国立大学機構	2023-09-14	—	—	WO	disclosed