SCHEMBL29398364

CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.55

▸	CRHR1	P34998	1/20	0.53

▸	CRHR2	Q13324	1/20	0.53

▸	OPRM1	P35372	2/20	0.51

▸	OPRD1	P41143	2/20	0.51

▸	CALCR	P30988	4/20	0.51

▸	C5AR1	P21730	2/20	0.51

▸	APLNR	P35414	1/20	0.50

▸	CALCRL	Q16602	3/20	0.49

▸	MC4R	P32245	1/20	0.48

▸	SLC6A2	P23975	1/20	0.48

▸	BDKRB2	P30411	1/20	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
SCHEMBL29993874	0.91	C5AR1 (0.61)	F2C5AR1
SCHEMBL31694458	0.91	F2 (0.55)	F2CRHR1CRHR2OPRM1OPRD1
SCHEMBL31519877	0.87	F2 (0.51)	F2C5AR1APLNRSLC6A2BDKRB2
SCHEMBL29398783	0.87	OPRM1 (0.57)	F2OPRM1OPRD1CALCRLSLC6A2
SCHEMBL29362632	0.85	APLNR (0.61)	F2CALCRC5AR1APLNRMC4R
SCHEMBL29637839	0.85	F2 (0.54)	F2OPRM1OPRD1CALCRC5AR1
SCHEMBL29960236	0.85	SLC6A2 (0.60)	F2OPRM1OPRD1CALCRC5AR1
SCHEMBL31519878	0.85	SLC6A2 (0.54)	F2OPRM1OPRD1C5AR1APLNR
SCHEMBL29812763	0.85	CALCR (0.66)	F2CRHR1CRHR2CALCRCALCRL
SCHEMBL31281843	0.84	C5AR1 (0.53)	OPRM1OPRD1CALCRC5AR1APLNR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1812062-B1	ANTI-ADDL ANTIBODIES AND USES THEREOF	MERCK SHARP & DOHME (US)	2022-03-09	—	—	EP	claimed
EP-1812062-B1	ANTI-ADDL ANTIBODIES AND USES THEREOF	MERCK SHARP & DOHME (US)	2022-03-09	—	—	EP	disclosed