SCHEMBL21086475

SCHEMBL21086475

CCC1CCN(C(=O)CN)[C@@H]1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.39
▸ DPP8 Q6V1X1 2/20 0.39
▸ PREP P48147 1/20 0.39
▸ FAP Q12884 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ CPN1 P15169 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ SMYD3 Q9H7B4 2/20 0.30
▸ DPP7 Q9UHL4 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
SCHEMBL18771492 1.00 DPP4 (0.39) DPP4DPP8PREPFAPDPP9
SCHEMBL18771558 1.00 DPP4 (0.39) DPP4DPP8PREPFAPDPP9
SCHEMBL18771493 0.83 DPP4 (0.36) DPP4DPP8PREPFAPDPP9
SCHEMBL18771529 0.83 DPP4 (0.36) DPP4DPP8PREPFAPDPP9
SCHEMBL20629796 0.82 CHRM2 (0.32) —
SCHEMBL18771733 0.82 CHRM2 (0.32) —
SCHEMBL18771738 0.82 CHRM2 (0.32) —
SCHEMBL18771496 0.79 DPP4 (0.41) DPP4DPP8PREPFAPDPP9
SCHEMBL21086473 0.79 DPP4 (0.41) DPP4DPP8PREPFAPDPP9
SCHEMBL18771237 0.79 DPP4 (0.41) DPP4DPP8PREPFAPDPP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3825312-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Pharmasset LLC (US) 2021-05-26 — — EP disclosed
EP-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 — — EP disclosed
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