SCHEMBL16602446

SCHEMBL16602446

NC(N)NCCC[C@H](N)C(=O)CI

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 1/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ OTC P00480 1/20 0.33
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ GSR P00390 1/20 0.31
▸ SLC15A1 P46059 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
SCHEMBL10058195 0.81 DPP7 (0.41) DPP7METAP1OTCCHRM2CHRM4
SCHEMBL16900730 0.80 DPP7 (0.35) DPP7OTCGSRSLC15A1
SCHEMBL15292001 0.79 DPP7 (0.37) DPP7OTCGSRSLC15A1
SCHEMBL17813676 0.79 DPP7 (0.40) DPP7METAP1OTCCHRM2CHRM4
SCHEMBL14139122 0.79 DPP7 (0.36) DPP7METAP1OTCSLC15A1
SCHEMBL15462854 0.78 PTGS1 (0.38) DPP7METAP1OTCCHRM2CHRM4
SCHEMBL13973500 0.78 ANPEP (0.38) DPP7METAP1OTCSLC15A1
SCHEMBL16314373 0.78 DPP7 (0.46) DPP7METAP1CHRM2CHRM4CHRM1
SCHEMBL13337953 0.78 GSR (0.54) OTCGSR
SCHEMBL16602952 0.78 DPP7 (0.36) DPP7OTCGSRSLC15A1

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-2327765-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-01 — — EP disclosed
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