SCHEMBL10427979

NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(N)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	6/20	0.49

▸	OPRM1	P35372	2/20	0.49

▸	OPRK1	P41145	2/20	0.49

▸	OPRL1	P41146	2/20	0.47

▸	CCKAR	P32238	3/20	0.47

▸	CCKBR	P32239	3/20	0.47

▸	CALCRL	Q16602	1/20	0.46

▸	QRFPR	Q96P65	2/20	0.45

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
SCHEMBL30512632	0.89	TFPI (0.51)	OPRL1
SCHEMBL30609948	0.87	MMP2 (0.55)	OPRD1OPRM1OPRK1
SCHEMBL30609954	0.87	MMP2 (0.55)	OPRD1OPRM1OPRK1
SCHEMBL29389091	0.87	MMP2 (0.51)	OPRK1
SCHEMBL29540107	0.86	ERAP2 (0.55)	OPRD1OPRM1OPRK1
SCHEMBL24270257	0.86	MMP2 (0.52)	OPRK1
SCHEMBL30109075	0.86	OPRD1 (0.52)	OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL31031476	0.86	BACE1 (0.54)	OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL29630644	0.85	OPRD1 (0.54)	OPRD1OPRM1OPRK1
SCHEMBL29592310	0.85	MMP2 (0.51)	OPRD1OPRM1OPRK1OPRL1CALCRL

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-0395357-A2	Polyamines useful as antagonists of excitatory amino acid neurotransmitters and/or as blockers of calcium channels	PFIZER INC. (US)	1990-10-31	—	—	EP	claimed