SCHEMBL7075152

SCHEMBL7075152

N=C(N)c1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.51
TDP1 Q9NUW8 1/20 0.48
F2 P00734 2/20 0.48
PRSS1 P07477 1/20 0.48
TPSAB1 Q15661 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.48
TPSG1 Q9NRR2 1/20 0.48
TRPV4 Q9HBA0 1/20 0.48
F10 P00742 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL7069339 0.82 CNR1 (0.55) CNR1F2PRSS1TPSAB1TPSD1
SCHEMBL7074851 0.79 GAA (0.63) CNR1F2PRSS1TPSAB1TPSD1
SCHEMBL7074867 0.79 TGM2 (0.55) CNR1F2PRSS1TPSAB1TPSD1
SCHEMBL7071366 0.79 F2 (0.51) CNR1F2PRSS1TPSAB1TPSD1
SCHEMBL7074313 0.78 CYP2C9 (0.60) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7074218 0.78 ALDH1A1 (0.67) CNR1F2PRSS1TPSAB1TPSD1
SCHEMBL7651893 0.77 KMT2A (0.53) CNR1F2PRSS1TPSAB1TPSD1
SCHEMBL7070571 0.77 GAA (0.58) CNR1F2PRSS1TPSAB1TPSD1
SCHEMBL7074100 0.77 MAPT (0.53) CNR1TDP1TRPV4ALDH1A1MAPT
SCHEMBL7074161 0.77 KMT2A (0.58) CNR1TDP1F10ALDH1A1MAPT

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