SCHEMBL8949269

SCHEMBL8949269

Cn1nc(-c2ccc(C#N)cc2)cc(C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 8/20 0.47
CNR2 P34972 5/20 0.46
CNR1 P21554 4/20 0.46
PHGDH O43175 1/20 0.43
KDM1A O60341 2/20 0.40
TTK P33981 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
KLK7 P49862 1/20 0.39

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
SCHEMBL8949141 0.90 EGLN1 (0.45) EGLN1CNR2CNR1PHGDHKDM1A
SCHEMBL8949256 0.90 EGLN1 (0.45) EGLN1CNR2CNR1PHGDHKDM1A
SCHEMBL8949262 0.90 EGLN1 (0.45) EGLN1CNR2CNR1PHGDHKDM1A
SCHEMBL8949148 0.83 CNR2 (0.46) CNR2CNR1KLK7
Hydrochloric Acid SCHEMBL8949029 0.83 CNR2 (0.49) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL8949277 0.83 CNR2 (0.46) CNR2CNR1KLK7
SCHEMBL8949362 0.83 CNR2 (0.61) CNR2CNR1
SCHEMBL7275259 0.78 PHGDH (0.48) PHGDHMEN1KMT2A
SCHEMBL8949327 0.77 CNR2 (0.60) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL8949190 0.75 PHGDH (0.43) EGLN1PHGDHKDM1A

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