SCHEMBL8016601

SCHEMBL8016601

CCOC(=O)CN(C)C(=O)C1(c2ccc3c(c2)nc(Cc2ccc(C#N)cc2)n3C)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.46
▸ F10 P00742 3/20 0.46
▸ PLG P00747 2/20 0.46
▸ ACSL1 P33121 3/20 0.41
▸ CNR2 P34972 11/20 0.38
▸ PRSS1 P07477 2/20 0.38
▸ PRSS2 P07478 2/20 0.38
▸ PRSS3 P35030 2/20 0.38
▸ CNR1 P21554 5/20 0.37
▸ RORC P51449 1/20 0.36
▸ BCHE P06276 1/20 0.36

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
SCHEMBL8016596 0.84 F2 (0.45) F2F10PLGACSL1CNR2
SCHEMBL8016597 0.83 F2 (0.46) F2F10PLGACSL1PRSS1
SCHEMBL8016519 0.82 F2 (0.55) F2F10PLGACSL1PRSS1
SCHEMBL8032174 0.78 F2 (0.58) F2F10PLGACSL1CNR2
Hydrochloric Acid SCHEMBL7985134 0.77 F2 (0.77) F2F10PLGPRSS1PRSS2
SCHEMBL8028963 0.76 F2 (0.53) F2ACSL1CNR2CNR1BCHE
SCHEMBL8032232 0.76 ACSL1 (0.42) F2F10PLGACSL1CNR2
SCHEMBL8027187 0.76 F2 (0.41) F2F10PLGACSL1PRSS1
SCHEMBL8030111 0.75 ITK (0.48) F2F10ACSL1CNR2CNR1
SCHEMBL8032466 0.74 F2 (0.52) F2ACSL1RORC

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
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