SCHEMBL22133305

C=C1C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H]([C@H](OC(=O)[C@@H](NC(C)=O)[C@H](OC)C(C)C)C(C)C)C(=O)N(C)[C@@H]([C@@H](C)OC)C(=O)O[C@H](C)[C@H](NC(C)=O)C(=O)O[C@H](Cc2ccccc2)C(=O)N1C

nearest known ligand 0.90

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	GNA11	P29992	8/20	0.90

▸	GNAQ	P50148	3/20	0.90

▸	ELANE	P08246	4/20	0.34

▸	HTRA1	Q92743	6/20	0.32

▸	GHSR	Q92847	1/20	0.31

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
SCHEMBL22133302	0.96	GNA11 (0.86)	GNA11GNAQELANEHTRA1
SCHEMBL22139582	0.95	GNA11 (0.85)	GNA11GNAQELANEHTRA1
SCHEMBL29587750	0.95	GNA11 (0.93)	GNA11GNAQELANEHTRA1
SCHEMBL22133709	0.95	GNA11 (0.85)	GNA11GNAQELANEHTRA1
SCHEMBL13820269	0.95	GNA11 (1.00)	GNA11GNAQELANEHTRA1GHSR
SCHEMBL14361129	0.95	GNA11 (1.00)	GNA11GNAQELANEHTRA1GHSR
SCHEMBL26118416	0.95	GNA11 (1.00)	GNA11GNAQELANEHTRA1GHSR
SCHEMBL22139591	0.92	GNA11 (0.90)	GNA11GNAQELANEGHSR
SCHEMBL22139577	0.92	GNA11 (0.80)	GNA11GNAQELANEHTRA1
SCHEMBL29802053	0.91	GNA11 (0.84)	GNA11GNAQELANEHTRA1GHSR

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-2020128612-A2	ANTIBODIES TO PMEL17 AND CONJUGATES THEREOF	NOVARTIS AG (CH)	2020-06-25	—	—	WO	disclosed