SCHEMBL28837464

CCN=C(NCC)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=NCC)NCC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

nearest known ligand 0.78

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	GNRHR	P30968	12/20	0.78

▸	DRD1	P21728	1/20	0.72

▸	OPRM1	P35372	1/20	0.72

▸	MRGPRX2	Q96LB1	1/20	0.72

▸	ABCB11	O95342	1/20	0.71

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
SCHEMBL61985	0.95	GNRHR (0.86)	GNRHRDRD1OPRM1MRGPRX2ABCB11
SCHEMBL6053414	0.95	GNRHR (0.86)	GNRHRDRD1OPRM1MRGPRX2ABCB11
Acetic Acid SCHEMBL33809	0.94	GNRHR (0.88)	GNRHRDRD1OPRM1MRGPRX2ABCB11
Ganirelix SCHEMBL13625244	0.94	GNRHR (0.89)	GNRHRDRD1OPRM1MRGPRX2ABCB11
Ganirelix SCHEMBL13624942	0.94	GNRHR (0.89)	GNRHRDRD1OPRM1MRGPRX2ABCB11
Ganirelix SCHEMBL29390389	0.94	GNRHR (0.89)	GNRHRDRD1OPRM1MRGPRX2ABCB11
Glycine SCHEMBL9408385	0.93	GNRHR (0.84)	GNRHRDRD1OPRM1MRGPRX2ABCB11
Teverelix SCHEMBL3152088	0.91	GNRHR (0.84)	GNRHRDRD1OPRM1MRGPRX2ABCB11
Dopamine SCHEMBL7286916	0.91	GNRHR (0.80)	GNRHRDRD1OPRM1MRGPRX2ABCB11
SCHEMBL17034758	0.91	GNRHR (0.83)	GNRHRDRD1OPRM1MRGPRX2ABCB11

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
CN-103877069-B	Small molecule modulators of microRNA-34 a	香港中文大学	2017-01-04	—	—	CN	disclosed