SCHEMBL23508945

SCHEMBL23508945

CN1CCC(C(N)C#N)CC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.37
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL4624168 0.78 NCF1 (0.37) NCF1
SCHEMBL696109 0.78
SCHEMBL6755282 0.78
SCHEMBL12505907 0.78
SCHEMBL12561520 0.77 NCF1 (0.34) NCF1HRH3
Hydrochloric Acid SCHEMBL694961 0.76
Hydrochloric Acid SCHEMBL5744025 0.76
SCHEMBL15295105 0.76 HRH3 (0.33) NCF1HRH3
SCHEMBL27972768 0.74
SCHEMBL27683336 0.74

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
WO-2021115286-A1 SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR 成都倍特药业股份有限公司 2021-06-17 WO disclosed