SCHEMBL18862071

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNCN1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)NC(CC1=CNCN1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	ERAP2	Q6P179	8/20	0.54

▸	ECE1	P42892	5/20	0.51

▸	IL1RN	P18510	8/20	0.50

▸	ERAP1	Q9NZ08	4/20	0.50

▸	OPRM1	P35372	2/20	0.50

▸	OPRD1	P41143	2/20	0.50

▸	MMP2	P08253	2/20	0.49

▸	MMP9	P14780	1/20	0.49

▸	MMP8	P22894	1/20	0.49

▸	MMP1	P03956	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
SCHEMBL18862460	1.00	ERAP2 (0.54)	ERAP2ECE1IL1RNERAP1OPRM1
SCHEMBL18862051	1.00	ERAP2 (0.54)	ERAP2ECE1IL1RNERAP1OPRM1
SCHEMBL18862045	0.92	GHSR (0.58)	—
SCHEMBL18862054	0.92	GHSR (0.58)	—
SCHEMBL18862050	0.91	IL1RN (0.51)	ERAP2IL1RNERAP1OPRM1OPRD1
SCHEMBL30051718	0.90	ERAP2 (0.64)	ERAP2ECE1IL1RNERAP1
SCHEMBL30169818	0.90	ERAP2 (0.64)	ERAP2ECE1IL1RNERAP1
SCHEMBL30051359	0.85	ACE (0.64)	ERAP2ECE1OPRM1OPRD1MMP9
SCHEMBL30050850	0.84	ECE1 (0.65)	ERAP2ECE1IL1RNERAP1MMP2
SCHEMBL29538468	0.84	ERAP2 (0.69)	ERAP2ECE1IL1RNERAP1

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
US-20170137801-A1	TISSUE-SPECIFIC GENOME ENGINEERING USING CRISPR-CAS9	THE REGENTS OF THE UNIVERSITY OF CALIFORNIA	2017-05-18	—	—	US	disclosed