SCHEMBL21444709

CCC(C)C(C(CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OC)N(C)C(=O)CNC(=O)C(C(C)C)N(C)CCCCN

nearest known ligand 0.40

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	1/20	0.39

▸	SSTR2	P30874	2/20	0.39

▸	CTSD	P07339	2/20	0.36

▸	CTSE	P14091	2/20	0.36

▸	BACE1	P56817	1/20	0.36

▸	REN	P00797	4/20	0.35

▸	ACE	P12821	2/20	0.34

▸	ANPEP	P15144	1/20	0.34

▸	LNPEP	Q9UIQ6	1/20	0.34

▸	APLNR	P35414	1/20	0.34

▸	PLG	P00747	1/20	0.34

▸	FOLH1	Q04609	1/20	0.34

▸	OPRD1	P41143	1/20	0.33

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
SCHEMBL20748798	0.98	SSTR2 (0.39)	CYP3A4SSTR2CTSDCTSEBACE1
SCHEMBL20902069	0.95	CYP3A4 (0.39)	CYP3A4SSTR2CTSDCTSEBACE1
SCHEMBL21699526	0.94	CYP3A4 (0.39)	CYP3A4SSTR2CTSDCTSEBACE1
SCHEMBL21103427	0.94	REN (0.40)	CYP3A4SSTR2CTSDCTSEBACE1
SCHEMBL21699517	0.93	SSTR2 (0.37)	CYP3A4SSTR2CTSDCTSEBACE1
SCHEMBL21699557	0.92	SSTR2 (0.38)	CYP3A4SSTR2CTSDCTSEBACE1
SCHEMBL19841574	0.92	CYP3A4 (0.37)	CYP3A4SSTR2CTSDCTSEBACE1
SCHEMBL18602020	0.92	CYP3A4 (0.37)	CYP3A4SSTR2CTSDCTSEBACE1
SCHEMBL22419930	0.92	CYP3A4 (0.37)	CYP3A4SSTR2CTSDCTSEBACE1
SCHEMBL15811693	0.92	CYP3A4 (0.37)	CYP3A4SSTR2CTSDCTSEBACE1

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
EP-3134125-B1	ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER	PF MEDICAMENT (FR)	2019-10-09	—	—	EP	disclosed