SCHEMBL7074652

SCHEMBL7074652

CC(C)S(=O)(=O)N1CCN(C(=O)Cc2ccc(C(=N)N)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.54
PRSS1 P07477 4/20 0.54
TPSAB1 Q15661 3/20 0.54
TPSD1 Q9BZJ3 3/20 0.54
TPSG1 Q9NRR2 3/20 0.54
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
HRH3 Q9Y5N1 2/20 0.45
ITGB3 P05106 3/20 0.45
ITGA2B P08514 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
PLG P00747 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
C1S P09871 1/20 0.43
CNR1 P21554 2/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL7074218 0.86 ALDH1A1 (0.67) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7069792 0.83 F10 (0.53) ALDH1A1TSHRITGB3ITGA2BSMN1; SMN2
SCHEMBL7070571 0.80 GAA (0.58) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7074851 0.80 GAA (0.63) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7075147 0.79 RAB9A (0.60) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7651893 0.78 KMT2A (0.53) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7075829 0.78 F2 (0.49) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7070008 0.78 GAA (0.56) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7069339 0.76 CNR1 (0.55) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7071507 0.76 MAPT (0.59) F2PRSS1TPSAB1TPSD1TPSG1

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-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 EP disclosed
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed