SCHEMBL9852717

CC(C)C[C@H](NC(=O)[C@H](C)N(C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1ccc2ccccc2c1)c1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O

nearest known ligand 0.60

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	12/20	0.60

▸	NMUR1	Q9HB89	12/20	0.60

▸	GNRHR	P30968	4/20	0.51

▸	DRD1	P21728	1/20	0.51

▸	OPRM1	P35372	1/20	0.51

▸	MRGPRX2	Q96LB1	1/20	0.51

▸	ABCB11	O95342	1/20	0.50

▸	EPHA2	P29317	3/20	0.48

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
SCHEMBL9631335	0.85	NMUR2 (0.63)	NMUR2NMUR1GNRHRDRD1OPRM1
SCHEMBL9852712	0.83	NMUR2 (0.54)	NMUR2NMUR1GNRHRDRD1OPRM1
SCHEMBL7621384	0.83	C5AR1 (0.58)	GNRHR
SCHEMBL9629904	0.82	NMUR2 (0.64)	NMUR2NMUR1GNRHRDRD1OPRM1
SCHEMBL10774369	0.81	NMUR2 (0.58)	NMUR2NMUR1GNRHRDRD1OPRM1
SCHEMBL11884805	0.80	NMUR2 (0.61)	NMUR2NMUR1OPRM1
SCHEMBL11884818	0.80	NMUR2 (0.61)	NMUR2NMUR1OPRM1
SCHEMBL9629979	0.80	NMUR2 (0.60)	NMUR2NMUR1GNRHRDRD1OPRM1
SCHEMBL31351849	0.79	NMUR2 (0.59)	NMUR2NMUR1OPRM1
SCHEMBL9629933	0.78	NMUR2 (0.60)	NMUR2NMUR1GNRHRDRD1OPRM1

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