SCHEMBL30415331

SCHEMBL30415331

CN1C(=O)CNC(=O)C12CCNCC2

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
NEK2 P51955 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1190242 0.88 BRPF1 (0.32)
SCHEMBL30239198 0.78 HSD17B10 (0.37) HSD17B10NEK2
SCHEMBL2527813 0.76 HSD17B10 (0.39) HSD17B10NEK2
SCHEMBL16883674 0.73 HSD17B10 (0.51) HSD17B10NEK2
SCHEMBL20764926 0.73 HSD17B10 (0.33) HSD17B10NEK2
SCHEMBL19329547 0.73 HSD17B10 (0.44) HSD17B10NEK2
Hydrochloric Acid SCHEMBL27153623 0.72 HSD17B10 (0.50) HSD17B10
Hydrochloric Acid SCHEMBL30686618 0.72 HSD17B10 (0.50) HSD17B10
SCHEMBL17608866 0.70 HSD17B10 (0.41) HSD17B10
SCHEMBL15478444 0.69 NEK2 (0.38) HSD17B10NEK2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023396-A Nitrogen-containing spiro compound and medical application thereof 中国医药研究开发中心有限公司 2023-04-28 CN disclosed