SCHEMBL29779763

CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](Cc2ccccc2)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	ABCB1	P08183	1/20	0.51

▸	GHSR	Q92847	4/20	0.50

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
SCHEMBL29220474	0.91	ABCB1 (0.55)	ABCB1GHSR
Cyclolinopeptide A SCHEMBL31609181	0.90	ABCB1 (0.54)	ABCB1
SCHEMBL29779778	0.88	GHSR (0.52)	ABCB1GHSR
SCHEMBL28240936	0.88	GHSR (0.52)	ABCB1GHSR
SCHEMBL29387556	0.88	ABCB1 (0.57)	ABCB1GHSR
SCHEMBL25937942	0.87	OPRM1 (0.53)	GHSR
SCHEMBL29779774	0.86	ST14 (0.49)	GHSR
SCHEMBL1674803	0.85	ITGB3 (0.55)	—
SCHEMBL31500491	0.85	ABCB1 (0.51)	ABCB1
SCHEMBL31500489	0.85	ABCB1 (0.51)	ABCB1

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
CN-114720568-A	Method for establishing fingerprint spectrum of radix pseudostellariae medicinal material and application thereof	云南雷允上理想药业有限公司	2022-07-08	—	—	CN	claimed
CN-119246748-A	Method for establishing radix pseudostellariae medicinal material fingerprint spectrum	江中药业股份有限公司	2025-01-03	—	—	CN	disclosed
CN-114720568-A	Method for establishing fingerprint spectrum of radix pseudostellariae medicinal material and application thereof	云南雷允上理想药业有限公司	2022-07-08	—	—	CN	disclosed