SCHEMBL8894890

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

nearest known ligand 0.59

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	GHSR	Q92847	4/20	0.59

▸	ECE1	P42892	1/20	0.57

▸	KDM4E	B2RXH2	1/20	0.57

▸	MEN1	O00255	1/20	0.57

▸	LMNA	P02545	1/20	0.57

▸	MPO	P05164	1/20	0.57

▸	MAPT	P10636	1/20	0.57

▸	TSHR	P16473	1/20	0.57

▸	BLM	P54132	1/20	0.57

▸	PMP22	Q01453	1/20	0.57

▸	KMT2A	Q03164	1/20	0.57

▸	HIF1A	Q16665	1/20	0.57

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
SCHEMBL8894741	0.99	GHSR (0.61)	GHSRECE1
SCHEMBL8895364	0.99	GHSR (0.61)	GHSRECE1
SCHEMBL8896981	0.99	GHSR (0.61)	GHSRECE1
SCHEMBL8894262	0.95	ECE1 (0.60)	GHSRECE1KDM4EMEN1LMNA
SCHEMBL8896053	0.95	ECE1 (0.60)	GHSRECE1KDM4EMEN1LMNA
SCHEMBL8896669	0.95	GHSR (0.55)	GHSR
SCHEMBL8895453	0.93	NPY1R (0.55)	GHSR
SCHEMBL8896673	0.93	NPY1R (0.55)	GHSR
SCHEMBL8892706	0.92	ECE1 (0.57)	GHSRECE1
SCHEMBL8894394	0.91	CCKBR (0.59)	GHSR

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 3 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
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