SCHEMBL10695762

CCC(C)C(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(N)CC(C)C)C(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CCNA2	P20248	2/20	0.46

▸	CDK2	P24941	2/20	0.46

▸	CCNA1	P78396	2/20	0.46

▸	BACE1	P56817	6/20	0.44

▸	CALCR	P30988	4/20	0.43

▸	CRHR1	P34998	1/20	0.43

▸	CRHR2	Q13324	1/20	0.43

▸	VIPR2	P41587	2/20	0.43

▸	GLP1R	P43220	4/20	0.42

▸	VIPR1	P32241	2/20	0.42

▸	BACE2	Q9Y5Z0	2/20	0.42

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
SCHEMBL10695770	1.00	CCNA2 (0.46)	CCNA2CDK2CCNA1BACE1CALCR
SCHEMBL30433042	0.89	CCNA2 (0.46)	CCNA2CDK2CCNA1
SCHEMBL30240002	0.89	ENPEP (0.43)	CCNA2CDK2CCNA1BACE1VIPR2
SCHEMBL30539513	0.88	BACE1 (0.40)	CCNA2CDK2CCNA1BACE1BACE2
SCHEMBL29940718	0.88	BACE1 (0.46)	BACE1BACE2
SCHEMBL29514797	0.86	BACE1 (0.43)	BACE1CALCRGLP1RBACE2
SCHEMBL29514698	0.86	BACE1 (0.43)	BACE1CALCRGLP1RBACE2
SCHEMBL31066782	0.86	BACE1 (0.48)	BACE1CALCRCRHR1CRHR2VIPR2
SCHEMBL29514645	0.86	BACE1 (0.44)	BACE1CALCRGLP1RVIPR1BACE2
SCHEMBL29514780	0.85	BACE1 (0.41)	BACE1BACE2

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0258742-A2	Oligonucleotide probes for detection of amylase genes	MILES INC. (US)	1988-03-09	—	—	EP	claimed
EP-0258742-A2	Oligonucleotide probes for detection of amylase genes	MILES INC. (US)	1988-03-09	—	—	EP	disclosed