SCHEMBL9852740

CC(C)C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)c(-c2cccc3ccccc23)c1)NC(=O)NCCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)CC(=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)N

nearest known ligand 0.51

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	5/20	0.51

▸	NMUR1	Q9HB89	5/20	0.51

▸	EPHA2	P29317	5/20	0.47

▸	OPRM1	P35372	7/20	0.47

▸	OPRK1	P41145	6/20	0.47

▸	APLNR	P35414	1/20	0.45

▸	ABCB11	O95342	1/20	0.44

▸	CXCR4	P61073	1/20	0.44

▸	DRD1	P21728	1/20	0.43

▸	GNRHR	P30968	1/20	0.43

▸	MRGPRX2	Q96LB1	1/20	0.43

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
SCHEMBL9629866	0.84	NMUR2 (0.58)	NMUR2NMUR1EPHA2OPRM1OPRK1
SCHEMBL10586963	0.81	NMUR2 (0.57)	NMUR2NMUR1EPHA2OPRM1OPRK1
SCHEMBL30689268	0.76	OPRK1 (0.58)	NMUR2NMUR1OPRM1OPRK1
SCHEMBL9629910	0.76	NMUR2 (0.63)	NMUR2NMUR1EPHA2APLNR
SCHEMBL30293724	0.75	NPY4R (0.56)	NMUR2NMUR1EPHA2OPRM1ABCB11
SCHEMBL9630914	0.74	NMUR2 (0.53)	NMUR2NMUR1OPRM1OPRK1
SCHEMBL9630682	0.74	NMUR2 (0.57)	NMUR2NMUR1EPHA2OPRM1APLNR
SCHEMBL10589391	0.74	EPHA2 (0.51)	NMUR2NMUR1EPHA2OPRM1APLNR
SCHEMBL30634740	0.74	NMUR2 (0.65)	NMUR2NMUR1EPHA2OPRM1OPRK1
SCHEMBL9852750	0.73	NPY4R (0.58)	NMUR2NMUR1EPHA2OPRM1

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-0417454-A2	Reduced size LHRH analogs	ABBOTT LABORATORIES (US)	1991-03-20	—	—	EP	disclosed