SCHEMBL20109371

SCHEMBL20109371

C=C(CC)N1CCC(CC)C1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ TACR3 P29371 1/20 0.32
▸ GAA P10253 2/20 0.30

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
SCHEMBL23177636 0.88 EPHX2 (0.34) DPP8DPP7GAA
SCHEMBL20109923 0.82 DPP8 (0.33) DPP8DPP7
SCHEMBL20881692 0.77 DPP8 (0.37) DPP8DPP7
SCHEMBL24994550 0.77 DPP8 (0.37) DPP8DPP7
SCHEMBL16015437 0.76 CHRNB2 (0.46) DPP8DPP7TACR3
SCHEMBL25633195 0.76 CHRNB2 (0.46) DPP8DPP7TACR3
SCHEMBL21780895 0.76 DPP8 (0.36) DPP8DPP7
SCHEMBL18724922 0.74 DPP8 (0.38) DPP8DPP7TACR3
SCHEMBL26790983 0.74 HPGD (0.45) DPP8DPP7
SCHEMBL24093854 0.73 CPN1 (0.41) DPP8DPP7

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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