SCHEMBL8893522

COC(=O)C(C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(N)=O)C(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	ECE1	P42892	2/20	0.59

▸	GHSR	Q92847	3/20	0.57

▸	IL1RN	P18510	1/20	0.55

▸	ERAP2	Q6P179	1/20	0.55

▸	ERAP1	Q9NZ08	1/20	0.55

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
SCHEMBL8893523	1.00	ECE1 (0.59)	ECE1GHSRIL1RNERAP2ERAP1
SCHEMBL8894507	1.00	ECE1 (0.59)	ECE1GHSRIL1RNERAP2ERAP1
SCHEMBL8892706	0.99	ECE1 (0.57)	ECE1GHSRIL1RNERAP2ERAP1
SCHEMBL8895938	0.95	ECE1 (0.59)	ECE1GHSRIL1RNERAP2ERAP1
SCHEMBL8896690	0.95	ECE1 (0.59)	ECE1GHSRIL1RNERAP2ERAP1
SCHEMBL8894530	0.94	ECE1 (0.53)	ECE1GHSRIL1RNERAP2ERAP1
SCHEMBL8895429	0.93	IL1RN (0.54)	ECE1GHSRIL1RNERAP2ERAP1
SCHEMBL8894510	0.93	IL1RN (0.54)	ECE1GHSRIL1RNERAP2ERAP1
SCHEMBL8894358	0.92	CCKBR (0.59)	ECE1GHSR
SCHEMBL8895364	0.92	GHSR (0.61)	ECE1GHSR

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5661128-A	TREATING CANCER	MERCK & CO. INC. (US)	1997-08-26	—	—	US	claimed
WO-1996010037-A1	PEPTIDE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE	MERCK & CO., INC. (US)	1996-04-04	—	—	WO	claimed
US-5661128-A	TREATING CANCER	MERCK & CO. INC. (US)	1997-08-26	—	—	US	disclosed
WO-1996010037-A1	PEPTIDE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE	MERCK & CO., INC. (US)	1996-04-04	—	—	WO	disclosed