SCHEMBL8949362

SCHEMBL8949362

N#Cc1ccc(-c2cc(C(=O)N[C@H]3CC[C@H](C(=O)O)CC3)c(=O)n(Cc3ccccc3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.61
CNR1 P21554 4/20 0.61
PRKAA2 P54646 6/20 0.46
CHRM4 P08173 1/20 0.45
BRD4 O60885 3/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8949327 0.92 CNR2 (0.60) CNR2CNR1PRKAA2CHRM4BRD4
Hydrochloric Acid SCHEMBL8949076 0.87 CNR2 (0.64) CNR2CNR1BRD4ALDH1A1SMN1; SMN2
SCHEMBL8949296 0.85 CNR2 (0.60) CNR2CNR1BRD4ALDH1A1SMN1; SMN2
SCHEMBL8949269 0.83 EGLN1 (0.47) CNR2CNR1
SCHEMBL8949294 0.81 CNR1 (0.46) CNR2CNR1CHRM4SMN1; SMN2
Hydrochloric Acid SCHEMBL8949172 0.79 CNR2 (0.63) CNR2CNR1BRD4ALDH1A1SMN1; SMN2
SCHEMBL8949357 0.77 CNR2 (0.59) CNR2CNR1BRD4ALDH1A1SMN1; SMN2
SCHEMBL8949399 0.75 CNR2 (0.49) CNR2CNR1SMN1; SMN2
SCHEMBL8949106 0.75 CNR2 (0.56) CNR2CNR1BRD4ALDH1A1SMN1; SMN2
SCHEMBL8949195 0.75 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2

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