SCHEMBL11533680

SCHEMBL11533680

CCC(=O)NC(CCCN)C(F)F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.37
▸ DPP7 Q9UHL4 5/20 0.36
▸ DPP8 Q6V1X1 4/20 0.36
▸ DPP9 Q86TI2 4/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ GRIA1 P42261 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CPB2 Q96IY4 2/20 0.32
▸ SLC6A5 Q9Y345 1/20 0.31
▸ SIRT6 Q8N6T7 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ GNAI3 P08754 1/20 0.31
▸ GNAO1 P09471 1/20 0.31
▸ GNAI1 P63096 1/20 0.31
▸ DNM1 Q05193 1/20 0.31
▸ ASAH1 Q13510 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
SCHEMBL10970398 0.89 CYP2C9 (0.39) CYP2C9DPP7DPP8DPP9MEN1
SCHEMBL11535880 0.81 SIRT6 (0.39) DPP7DPP8DPP9DPP4CPB2
SCHEMBL11539434 0.73 CPB2 (0.45) DPP7DPP8DPP9CYP1A2CPB2
SCHEMBL10967630 0.73 GABRR1 (0.31) —
SCHEMBL3455673 0.73 SLC6A5 (0.54) SLC6A5
SCHEMBL4184576 0.73 SLC6A5 (0.54) SLC6A5
SCHEMBL4184574 0.73 SLC6A5 (0.54) SLC6A5
SCHEMBL23168117 0.71 DPP7 (0.39) CYP2C9DPP7DPP8DPP9DPP4
SCHEMBL22342420 0.71 CTSK (0.44) CYP2C9DPP7DPP8DPP9DPP4
SCHEMBL11511932 0.70 CYP2C9 (0.36) CYP2C9DPP7DPP8DPP9DPP4

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
US-4134918-A ENZYME INHIBITORS, ANTIBODY INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1979-01-16 — — US disclosed
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