SCHEMBL13195462

SCHEMBL13195462

O=C(CI)N1Cc2cccnc2C1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 1/20 0.53
▸ DPP9 Q86TI2 1/20 0.53
▸ NAMPT P43490 19/20 0.47

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
SCHEMBL13018584 0.84 DPP8 (0.60) DPP8DPP9NAMPT
SCHEMBL17572894 0.82 DPP8 (0.53) DPP8DPP9NAMPT
SCHEMBL15490032 0.81 DPP8 (0.60) DPP8DPP9NAMPT
SCHEMBL21847864 0.80 DPP8 (0.50) DPP8DPP9NAMPT
SCHEMBL8203594 0.80 DPP8 (0.55) DPP8DPP9NAMPT
SCHEMBL29992618 0.80 DPP8 (0.55) DPP8DPP9NAMPT
SCHEMBL3438648 0.79 NOTUM (0.61) DPP8DPP9NAMPT
SCHEMBL27923200 0.79 DPP8 (0.57) DPP8DPP9NAMPT
SCHEMBL22169249 0.79 DPP8 (0.53) DPP8DPP9NAMPT
SCHEMBL25678375 0.79 DPP8 (0.54) DPP8DPP9NAMPT

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-2693882-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-06-28 — — EP disclosed
WO-2012138845-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-10-11 — — WO disclosed
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