SCHEMBL8030056

SCHEMBL8030056

Cn1c(Cc2ccc(C(=N)N)cc2)nc2cc(C(=O)C3(CC(=O)O)CCCCC3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 20/20 0.52
▸ F10 P00742 6/20 0.47
▸ PLG P00747 5/20 0.47
▸ PRSS1 P07477 3/20 0.47
▸ PRSS2 P07478 3/20 0.47
▸ PRSS3 P35030 3/20 0.47

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
Hydrochloric Acid SCHEMBL8026415 0.88 F2 (0.51) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL8016349 0.86 F2 (0.52) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL8026432 0.85 F2 (0.53) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL8026272 0.77 F2 (0.53) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7655391 0.76 F2 (0.52) F2F10PLGPRSS1PRSS2
SCHEMBL8032232 0.76 ACSL1 (0.42) F2F10PLG
Hydrochloric Acid SCHEMBL8026843 0.76 F2 (0.58) F2F10PLG
SCHEMBL8031432 0.74 F2 (0.79) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL8026423 0.74 F2 (0.78) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7981143 0.73 F2 (0.67) F2F10PLGPRSS1PRSS2

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 5 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
EP-0973746-A1 SUBSTITUTED 3-CYANO QUINOLINES American Cyanamid Company (US) 2000-01-26 — — EP disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 — — WO disclosed
WO-1998043960-A1 SUBSTITUTED 3-CYANO QUINOLINES AMERICAN CYANAMID COMPANY (US) 1998-10-08 — — WO disclosed
Send feedback