SCHEMBL8949258

SCHEMBL8949258

COC(=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 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.41
CNR1 P21554 4/20 0.41
CFTR P13569 1/20 0.39
KLK7 P49862 1/20 0.38
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 1/20 0.35
KAT2B Q92831 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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 1.00 CNR2 (0.41) CNR2CNR1CFTRKLK7HPGD
SCHEMBL8948977 0.93 FAAH (0.41) CNR2CNR1CFTRFAAHMEN1
SCHEMBL8949034 0.89 CFTR (0.42) CNR2CNR1CFTRKLK7HPGD
SCHEMBL8949131 0.89 CFTR (0.42) CNR2CNR1CFTRKLK7HPGD
SCHEMBL8949141 0.83 EGLN1 (0.45) CNR2CNR1CFTRKLK7MEN1
SCHEMBL8949256 0.83 EGLN1 (0.45) CNR2CNR1CFTRKLK7MEN1
SCHEMBL8949262 0.83 EGLN1 (0.45) CNR2CNR1CFTRKLK7MEN1
SCHEMBL9571678 0.82 CNR2 (0.40) CNR2CNR1CFTRHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL8949162 0.82 CNR2 (0.46) CNR2CNR1CFTRKLK7MEN1
SCHEMBL8949148 0.80 CNR2 (0.46) CNR2CNR1KLK7HPGD

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
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