SCHEMBL8016135

SCHEMBL8016135

Cn1c(Cc2ccc(C(=N)N)cc2)nc2cc(NC(=O)CC(C(=O)O)C3CCCC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.55
F10 P00742 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
PLG P00747 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL8026022 0.78 MAPT (0.43) KDM4ELMNAHSD17B10NPC1ALDH1A1
Hydrochloric Acid SCHEMBL8029967 0.77 F2 (0.53) F2F10PRSS1PRSS2PRSS3
SCHEMBL8026562 0.76 F2 (0.67) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8028460 0.75 F2 (0.66) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8026353 0.75 F2 (0.75) F2ALDH1A1
Hydrochloric Acid SCHEMBL8026272 0.75 F2 (0.53) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8027015 0.74 F2 (0.65) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8027248 0.73 F2 (0.49) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8016111 0.73 F2 (0.47) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8144695 0.72 F2 (0.47) F2F10PRSS1PRSS2PRSS3

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 6 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 claimed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US claimed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO claimed
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