SCHEMBL29822483

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CCNA2	P20248	2/20	0.40

▸	CDK2	P24941	2/20	0.40

▸	CCNA1	P78396	2/20	0.40

▸	BACE1	P56817	1/20	0.40

▸	NPBWR1	P48145	2/20	0.40

▸	OPRL1	P41146	1/20	0.39

▸	F2	P00734	2/20	0.39

▸	NMT2	O60551	1/20	0.39

▸	NMT1	P30419	1/20	0.39

▸	NTSR2	O95665	1/20	0.38

▸	NTSR1	P30989	1/20	0.38

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
SCHEMBL31257011	0.86	BACE1 (0.45)	CCNA2CDK2CCNA1BACE1NPBWR1
SCHEMBL2119466	0.86	BACE1 (0.45)	CCNA2CDK2CCNA1BACE1F2
SCHEMBL2119473	0.86	BACE1 (0.45)	CCNA2CDK2CCNA1BACE1F2
SCHEMBL30308732	0.85	RXFP1 (0.41)	OPRL1
SCHEMBL31257036	0.85	BACE1 (0.47)	CCNA2CDK2CCNA1BACE1NMT2
SCHEMBL31611781	0.85	CPB2 (0.44)	NMT2NMT1
SCHEMBL31275624	0.84	CPB2 (0.44)	F2NTSR2NTSR1
SCHEMBL30335748	0.84	CPB2 (0.49)	NTSR2NTSR1
SCHEMBL31538181	0.84	CPB2 (0.49)	NTSR2NTSR1
SCHEMBL27204398	0.84	CPB2 (0.49)	NTSR2NTSR1

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-20220229065-A1	SENSORS AND METHODS FOR RAPID MICROBIAL DETECTION	BAMBU VAULT LLC (US)	2022-07-21	—	—	US	disclosed