SCHEMBL20109923

SCHEMBL20109923

C=C(CC)N1CCC(CC(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 2/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL19240731 0.90 MEN1 (0.33) DPP4
SCHEMBL20937305 0.89 KCNH2 (0.33) —
SCHEMBL20109395 0.86 PTPN1 (0.31) DPP8DPP7HSD17B10
SCHEMBL20109371 0.82 DPP8 (0.38) DPP8DPP7
SCHEMBL12876369 0.79 EPHX2 (0.41) DPP8DPP7DPP4DPP9
SCHEMBL22150392 0.79 EPHX2 (0.41) DPP8DPP7DPP4DPP9
SCHEMBL19999887 0.78 — —
SCHEMBL21651069 0.75 PHGDH (0.37) DPP8DPP7DPP4DPP9HSD17B10
SCHEMBL17522138 0.75 PIK3CD (0.43) DPP8DPP7DPP4DPP9HSD17B10
SCHEMBL17522199 0.75 PIK3CD (0.43) DPP8DPP7DPP4DPP9HSD17B10

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
EP-2534152-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-02 — — EP disclosed
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