SCHEMBL3404386

SCHEMBL3404386

NC(=O)[C@H](N)C(=O)N1CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 6/20 0.46
ALDH1A1 P00352 3/20 0.42
DPP4 P27487 6/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
F2 P00734 1/20 0.41
HPGD P15428 3/20 0.37
CA2 P00918 1/20 0.35
CHKA P35790 1/20 0.35

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
SCHEMBL26124133 0.98 DPP7 (0.43) DPP7ALDH1A1DPP4MMP1MMP2
SCHEMBL16197317 0.78 CYP1A2 (0.46) HPGD
Hydrochloric Acid SCHEMBL3402038 0.77 CYP1A2 (0.45) HPGD
SCHEMBL28197935 0.76 DPP7 (0.48) DPP7ALDH1A1DPP4MMP1MMP2
SCHEMBL3733207 0.76 DPP7 (0.44) DPP7ALDH1A1DPP4MMP1MMP2
SCHEMBL21896200 0.75 DPP7 (0.41) DPP7ALDH1A1DPP4MMP1MMP2
SCHEMBL856280 0.74 DPP4 (0.46) DPP7ALDH1A1DPP4MMP1MMP2
SCHEMBL5891316 0.74 DPP4 (0.46) DPP7ALDH1A1DPP4MMP1MMP2
SCHEMBL8612552 0.74 DPP4 (0.46) DPP7ALDH1A1DPP4MMP1MMP2
SCHEMBL16935735 0.74 DPP4 (0.46) DPP7ALDH1A1DPP4MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378092-B2 Chlorothiophene-amides as inhibitors of coagulation factors Xa and thrombin SANOFI (FR) 2013-02-19 US disclosed
EP-2254881-B1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN SANOFI SA (FR) 2012-09-12 EP disclosed
EP-2254881-A1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN Sanofi-Aventis (FR) 2010-12-01 EP disclosed
WO-2009103440-A1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN SANOFI-AVENTIS (FR) 2009-08-27 WO disclosed