SCHEMBL7422855

SCHEMBL7422855

N#Cc1ccc(OCc2ccccc2)c(NC(=O)CCl)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.51
TRPM4 Q8TD43 1/20 0.50
PPIA P62937 2/20 0.47
BRD4 O60885 1/20 0.46
MAOB P27338 1/20 0.46
PTGER1 P34995 1/20 0.45
LMNA P02545 1/20 0.43
CYP19A1 P11511 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
XDH P47989 1/20 0.42
GPR34 Q9UPC5 1/20 0.42

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
SCHEMBL8113906 0.81 MRGPRX4 (0.50) MRGPRX4PPIABRD4MAOBPTGER1
SCHEMBL16097496 0.79 LMNA (0.51) PPIABRD4LMNAKDM4ENPC1
SCHEMBL15561368 0.78 MAOB (0.54) MRGPRX4PPIABRD4MAOBPTGER1
SCHEMBL28701031 0.78 EPHX2 (0.46) MRGPRX4TRPM4KDM4ENPC1MITF
SCHEMBL22897684 0.76 TRPM4 (0.41) MRGPRX4TRPM4KDM4ENPC1MITF
SCHEMBL1647357 0.76 FOLH1 (0.62) MRGPRX4PPIAMAOBPTGER1KDM4E
SCHEMBL8104076 0.75 MRGPRX4 (0.50) MRGPRX4PPIABRD4MAOBPTGER1
SCHEMBL9653543 0.75 C5AR1 (0.59) CYP19A1KDM4ENPC1MITFTHRB
SCHEMBL7492629 0.74 CXCR2 (0.62) MRGPRX4TRPM4PPIABRD4MAOB
SCHEMBL1646681 0.74 MRGPRX4 (0.60) MRGPRX4PPIAMAOBPTGER1LMNA

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
CN-1367777-A Benzenamine derivatives as anti-coagulants BERLEX LAB (US) 2002-09-04 CN disclosed
EP-1200405-A1 BENZENAMINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 2002-05-02 EP disclosed
US-6350761-B1 INHIBITORS OF THE ENZYME, FACTOR XA; BERLEX LABORATORIES, INC. 2002-02-26 US disclosed
WO-2001009093-A1 BENZENAMINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 2001-02-08 WO disclosed