SCHEMBL8028097

SCHEMBL8028097

CCOC(=O)CN(c1ccc2c(c1)nc(Cc1ccc(C#N)cc1)n2Cc1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.48
CNR1 P21554 1/20 0.48
HCRTR2 O43614 1/20 0.42
ALOX5AP P20292 2/20 0.41
F2 P00734 2/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GNRHR P30968 1/20 0.40
POLB P06746 1/20 0.40
AGTR2 P50052 1/20 0.40
NR3C1 P04150 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC1 Q13547 1/20 0.39
PGR P06401 1/20 0.39

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
SCHEMBL8030064 0.93 HCRTR2 (0.43) CNR2CNR1HCRTR2F2LMNA
SCHEMBL8028164 0.92 F2 (0.45) CNR2CNR1HCRTR2F2POLB
SCHEMBL8016208 0.91 CNR2 (0.47) CNR2CNR1HCRTR2F2POLB
SCHEMBL8026447 0.90 F2 (0.41) CNR2CNR1HCRTR2F2POLB
SCHEMBL8032466 0.90 F2 (0.52) HCRTR2F2LMNATP53POLB
SCHEMBL8033097 0.88 F2 (0.46) CNR2CNR1ALOX5APF2MEN1
Hydrochloric Acid SCHEMBL8026657 0.87 F2 (0.56) CNR2CNR1F2
SCHEMBL8031469 0.85 CNR2 (0.42) CNR2CNR1HCRTR2F2POLB
SCHEMBL6635417 0.85 F2 (0.47) HCRTR2F2MEN1LMNAKMT2A
SCHEMBL8029957 0.84 F2 (0.40) CNR2CNR1HCRTR2F2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed