SCHEMBL19232193

CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CSSCC(C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC1=O

nearest known ligand 0.56

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CACNA1B	Q00975	1/20	0.56

▸	PCSK9	Q8NBP7	1/20	0.53

▸	SSTR4	P31391	14/20	0.52

▸	SSTR2	P30874	12/20	0.52

▸	SSTR3	P32745	11/20	0.52

▸	SSTR5	P35346	11/20	0.52

▸	SSTR1	P30872	6/20	0.52

▸	PLAU	P00749	2/20	0.50

▸	PRKACA	P17612	1/20	0.49

▸	PRKACG	P22612	1/20	0.49

▸	PRKACB	P22694	1/20	0.49

▸	CTSG	P08311	1/20	0.49

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
SCHEMBL19232199	0.93	CACNA1B (0.65)	CACNA1BPCSK9SSTR4SSTR2SSTR3
SCHEMBL25455154	0.85	CACNA1B (0.61)	CACNA1BPCSK9SSTR4SSTR2SSTR3
SCHEMBL19232224	0.84	CACNA1B (0.62)	CACNA1BSSTR4SSTR2SSTR3SSTR5
SCHEMBL20910241	0.83	CACNA1B (0.60)	CACNA1BPLAUCTSG
SCHEMBL29666839	0.78	SSTR4 (0.51)	CACNA1BSSTR4SSTR2SSTR3SSTR5
SCHEMBL19232225	0.78	CACNA1B (0.68)	CACNA1BSSTR4SSTR2SSTR3SSTR5
SCHEMBL25456827	0.77	CACNA1B (0.53)	CACNA1BPCSK9SSTR4SSTR2SSTR3
SCHEMBL25455142	0.76	KEAP1 (0.53)	CACNA1BSSTR4SSTR2SSTR3SSTR5
SCHEMBL23322935	0.76	F12 (0.58)	PCSK9PLAU
SCHEMBL31479909	0.76	HSP90AB1 (0.45)	CACNA1B

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
WO-2017136581-A1	ANTI-EGFR ANTIBODY DRUG CONJUGATE	MEDITOPE BIOSCIENCES, INC. (US)	2017-08-10	—	—	WO	disclosed