SCHEMBL8032232

SCHEMBL8032232

CCOC(=O)CC1(C(=O)c2ccc3c(c2)nc(Cc2ccc(C#N)cc2)n3C)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 2/20 0.42
CNR2 P34972 14/20 0.40
CNR1 P21554 5/20 0.40
BCHE P06276 4/20 0.40
OPRM1 P35372 1/20 0.40
ACHE P22303 2/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RORC P51449 1/20 0.37

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 0.87 F2 (0.51) F2F10PLG
SCHEMBL8029874 0.83 ACSL1 (0.43) ACSL1CNR2CNR1BCHEOPRM1
SCHEMBL8032027 0.82 ACSL1 (0.43) ACSL1CNR2BCHEOPRM1ACHE
SCHEMBL7164471 0.81 HDAC6 (0.49) F2
Hydrochloric Acid SCHEMBL7655391 0.77 F2 (0.52) F2F10PLG
SCHEMBL8016601 0.76 F2 (0.46) ACSL1CNR2CNR1BCHEF2
SCHEMBL8017278 0.76 ITK (0.51) ACSL1CNR2CNR1
SCHEMBL8030056 0.76 F2 (0.52) F2F10PLG
SCHEMBL8028963 0.75 F2 (0.53) ACSL1CNR2CNR1BCHEOPRM1
SCHEMBL8016596 0.75 F2 (0.45) ACSL1CNR2BCHEF2F10

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