SCHEMBL31098246

NCCCC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.67

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	PRKACA	P17612	14/20	0.67

▸	AKT3	Q9Y243	5/20	0.67

▸	ROCK2	O75116	4/20	0.67

▸	HASPIN	Q8TF76	4/20	0.57

▸	HINT1	P49773	1/20	0.48

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
SCHEMBL30786469	0.79	PRKACA (0.95)	PRKACAAKT3ROCK2HASPIN
SCHEMBL31409360	0.75	PRKACA (1.00)	PRKACAAKT3ROCK2
SCHEMBL17666086	0.74	HINT1 (0.77)	HINT1
SCHEMBL30520257	0.74	HINT1 (0.63)	HINT1
SCHEMBL21528355	0.74	HINT1 (0.63)	HINT1
SCHEMBL18119941	0.74	HINT1 (0.63)	HINT1
SCHEMBL16801374	0.74	HINT1 (0.68)	PRKACAHINT1
SCHEMBL15607705	0.74	HINT1 (0.68)	PRKACAHINT1
SCHEMBL25898613	0.73	HINT1 (0.62)	PRKACAHINT1
SCHEMBL22769248	0.73	FOLH1 (0.65)	—

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
CN-117620592-B	Rolling machining device and method for special-shaped hole of small end of connecting rod	承德苏垦银河汽车零部件有限公司	2026-05-15	—	—	CN	disclosed
CN-118355297-A	Anti-reflective structuring of optical elements comprising a super-structured surface	尼尔特瑞士有限公司	2024-07-16	—	—	CN	disclosed