SCHEMBL4615581

SCHEMBL4615581

COC(=O)CCNC(=O)c1ccc(Br)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.67
GAA P10253 2/20 0.67
RXFP1 Q9HBX9 1/20 0.67
KDM4E B2RXH2 1/20 0.65
ESR1 P03372 1/20 0.65
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 3/20 0.50
ACKR3 P25106 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
PPARG P37231 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
HPGD P15428 3/20 0.48
GSK3B P49841 2/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL8791444 0.84 NPSR1 (0.61) NPSR1GAARXFP1KDM4EESR1
SCHEMBL6362085 0.81 GAA (0.75) NPSR1GAARXFP1KDM4EESR1
SCHEMBL10706852 0.80 GAA (0.73) NPSR1GAARXFP1KDM4EESR1
SCHEMBL4059184 0.80 GSK3B (0.56) NPSR1GAARXFP1KDM4EESR1
SCHEMBL12491925 0.78 GAA (0.70) GAAKDM4ENPC1RAB9AALDH1A1
SCHEMBL27263380 0.78 GAA (0.75) NPSR1GAARXFP1KDM4EESR1
SCHEMBL16315254 0.77 GAA (0.69) NPSR1GAARXFP1KDM4EESR1
SCHEMBL15356093 0.76 GAA (0.84) NPSR1GAARXFP1KDM4EESR1
Hydrochloric Acid SCHEMBL10709812 0.76 GAA (0.73) NPSR1GAARXFP1KDM4EESR1
SCHEMBL2653275 0.76 SMN1; SMN2 (0.39) NPSR1GAARXFP1KDM4EESR1

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-1899330-A1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT Boehringer Ingelheim International GmbH (DE) 2008-03-19 EP disclosed
WO-2007003536-A1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 WO disclosed