SCHEMBL8948977

SCHEMBL8948977

CCOC(=O)NC(=N)c1ccc(-c2cc(C(=O)N[C@H]3CC[C@H](C(=O)OC)CC3)c(=O)n(C)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.41
CNR2 P34972 14/20 0.38
CNR1 P21554 4/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CFTR P13569 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
SCHEMBL8949056 0.93 CNR2 (0.41) FAAHCNR2CNR1MEN1RAB9A
SCHEMBL8949258 0.93 CNR2 (0.41) FAAHCNR2CNR1MEN1RAB9A
SCHEMBL8949034 0.85 CFTR (0.42) CNR2CNR1CFTR
SCHEMBL8949131 0.85 CFTR (0.42) CNR2CNR1CFTR
Hydrochloric Acid SCHEMBL8949162 0.80 CNR2 (0.46) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL8949141 0.79 EGLN1 (0.45) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL8949262 0.79 EGLN1 (0.45) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL8949256 0.79 EGLN1 (0.45) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL9571678 0.78 CNR2 (0.40) CNR2CNR1CFTR
SCHEMBL8949028 0.77 HPGD (0.38) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP claimed
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed