SCHEMBL7977875

SCHEMBL7977875

CCOC(=O)CCN(CC(C)C)C(=O)c1ccc2c(c1)nc(Cc1ccc(C#N)cc1)c(=O)n2C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.46
CNR1 P21554 6/20 0.46
OPRM1 P35372 1/20 0.46
F2 P00734 2/20 0.45
F10 P00742 2/20 0.45
PLG P00747 2/20 0.45
BCHE P06276 5/20 0.42
ACHE P22303 2/20 0.41

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
SCHEMBL8026759 0.90 CNR2 (0.53) CNR2CNR1OPRM1BCHEACHE
Hydrochloric Acid SCHEMBL7968399 0.88 F2 (0.58) CNR2CNR1OPRM1F2F10
Hydrochloric Acid SCHEMBL8017466 0.78 NQO2 (0.54) CNR2CNR1OPRM1F2BCHE
Hydrochloric Acid SCHEMBL7981399 0.77 F2 (0.56) F2F10PLGBCHEACHE
SCHEMBL7968268 0.74 F2 (0.45) CNR2CNR1F2F10PLG
SCHEMBL7982258 0.73 F2 (0.41) CNR2CNR1OPRM1F2F10
SCHEMBL6778568 0.73 HDAC6 (0.45) CNR2CNR1OPRM1F2BCHE
SCHEMBL7245590 0.73 CNR2 (0.45) CNR2CNR1OPRM1F2BCHE
Hydrochloric Acid SCHEMBL7431513 0.73 F2 (0.58) F2F10PLG
SCHEMBL7979533 0.73 F2 (0.41) F2F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed