SCHEMBL20109395

SCHEMBL20109395

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP7 Q9UHL4 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL20109923 0.86 DPP8 (0.33) HSD17B10DPP8DPP7
SCHEMBL24614018 0.79 SMN1; SMN2 (0.44) PTPN1SMN1; SMN2
SCHEMBL19999887 0.78 — —
SCHEMBL19240731 0.77 MEN1 (0.33) —
SCHEMBL17522138 0.75 PIK3CD (0.43) HSD17B10DPP8DPP7
SCHEMBL21651069 0.75 PHGDH (0.37) HSD17B10DPP8DPP7SMN1; SMN2
SCHEMBL17522199 0.75 PIK3CD (0.43) HSD17B10DPP8DPP7
SCHEMBL20937305 0.75 KCNH2 (0.33) —
SCHEMBL17522201 0.75 PIK3CD (0.43) HSD17B10DPP8DPP7
SCHEMBL19421521 0.74 MEN1 (0.32) —

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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