SCHEMBL17057232

SCHEMBL17057232

O=C(CCl)N1CCC[C@H]1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DPP4 P27487 5/20 0.38
▸ FAP Q12884 3/20 0.38
▸ PREP P48147 2/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ ACE P12821 2/20 0.36
▸ DPP7 Q9UHL4 3/20 0.34

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
SCHEMBL27842756 0.82 POLB (0.38) ALDH1A1LMNAPOLBL3MBTL1DPP4
SCHEMBL14000163 0.78 ALDH1A1 (0.44) ALDH1A1LMNAPOLBL3MBTL1DPP4
SCHEMBL11841155 0.78 ALDH1A1 (0.53) ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL13997163 0.78 ALDH1A1 (0.53) ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL27967587 0.78 ALDH1A1 (0.44) ALDH1A1LMNAPOLBL3MBTL1DPP4
SCHEMBL3831117 0.76 POLB (0.66) ALDH1A1LMNAPOLBL3MBTL1DPP4
SCHEMBL3200494 0.76 ACE (0.62) LMNAACE
SCHEMBL20839701 0.76 ACE (0.62) LMNAACE
SCHEMBL226271 0.76 EPHX2 (0.40) ALDH1A1
SCHEMBL1170836 0.76 ACE (0.62) LMNAACE

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
WO-2015128718-A1 NOVEL ECONOMIC PROCESS FOR VILDAGLIPTIN HIKAL LIMITED (IN) 2015-09-03 — — WO disclosed
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