SCHEMBL11123246

CSCCC(NC(=O)C(CCCCN)NC(=O)C(N)CCCNC(=N)N)C(=O)NC(Cc1c[nH]cn1)C(=O)NCC(=O)NCC(=O)NC(C)C(=O)NC(C(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.47

▸	CTSL	P07711	3/20	0.45

▸	CTSS	P25774	3/20	0.45

▸	CTSK	P43235	3/20	0.45

▸	ITGB3	P05106	1/20	0.44

▸	ITGAV	P06756	1/20	0.44

▸	CTSH	P09668	1/20	0.44

▸	OPRL1	P41146	5/20	0.43

▸	PRMT1	Q99873	1/20	0.43

▸	KEAP1	Q14145	1/20	0.43

▸	RXFP1	Q9HBX9	1/20	0.43

▸	APLNR	P35414	1/20	0.42

▸	GLP1R	P43220	2/20	0.42

▸	GCGR	P47871	2/20	0.42

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
SCHEMBL11123257	1.00	C5AR1 (0.47)	C5AR1CTSLCTSSCTSKITGB3
SCHEMBL30424730	0.88	C5AR1 (0.53)	C5AR1GLP1RGCGR
SCHEMBL29469826	0.88	KEAP1 (0.54)	C5AR1KEAP1RXFP1GLP1RGCGR
SCHEMBL29754616	0.86	NPY4R (0.45)	C5AR1APLNR
SCHEMBL31467532	0.85	C5AR1 (0.46)	C5AR1OPRL1APLNRGLP1RGCGR
SCHEMBL31573772	0.85	CALCR (0.48)	KEAP1APLNRGLP1RGCGR
SCHEMBL31573805	0.85	CALCR (0.48)	KEAP1APLNRGLP1RGCGR
SCHEMBL31410833	0.84	TFPI (0.56)	KEAP1GLP1RGCGR
SCHEMBL29754562	0.84	C5AR1 (0.45)	C5AR1PRMT1APLNRGLP1R
SCHEMBL30930541	0.84	GLP1R (0.54)	OPRL1PRMT1GLP1RGCGR

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-0108564-A1	Methods for oncogenic detection	THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US)	1984-05-16	—	—	EP	disclosed