SCHEMBL9742736

CCCC(Nc1nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	IDH1	O75874	2/20	0.32

▸	IDH2	P48735	1/20	0.32

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
SCHEMBL9428503	0.94	CYP2D6 (0.30)	—
SCHEMBL7458937	0.94	IDH1 (0.33)	IDH1IDH2
SCHEMBL607239	0.92	—	—
SCHEMBL7990249	0.91	IDH1 (0.31)	IDH1IDH2
SCHEMBL7479465	0.91	—	—
SCHEMBL9427844	0.89	GBA1 (0.35)	—
SCHEMBL9429439	0.89	—	—
SCHEMBL9427868	0.89	IDH2 (0.36)	IDH2
SCHEMBL9428599	0.88	—	—
SCHEMBL9428508	0.88	CA12 (0.30)	—

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
US-5096950-A	N-alkoxypiperidines	CIBA-GEIGY CORPORATION (US)	1992-03-17	—	—	US	claimed
US-5096950-A	N-alkoxypiperidines	CIBA-GEIGY CORPORATION (US)	1992-03-17	—	—	US	disclosed