SCHEMBL8949327

SCHEMBL8949327

COC(=O)[C@H]1CC[C@H](NC(=O)c2cc(-c3ccc(C#N)cc3)nn(Cc3ccccc3)c2=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.60
CNR1 P21554 4/20 0.60
CHRM4 P08173 1/20 0.44
BRD4 O60885 4/20 0.43
PRKAA2 P54646 2/20 0.43
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR1 P34998 1/20 0.41
CRHR2 Q13324 1/20 0.41
TRIM24 O15164 1/20 0.41
BRD1 O95696 1/20 0.41
CCL2 P13500 1/20 0.41
TAF1 P21675 1/20 0.41
BRD2 P25440 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
BRPF1 P55201 1/20 0.41
EP300 Q09472 1/20 0.41
BPTF Q12830 1/20 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
SCHEMBL8949362 0.92 CNR2 (0.61) CNR2CNR1CHRM4BRD4PRKAA2
Hydrochloric Acid SCHEMBL8949172 0.88 CNR2 (0.63) CNR2CNR1BRD4KMT2ACRHR1
SCHEMBL8949357 0.86 CNR2 (0.59) CNR2CNR1BRD4MEN1KMT2A
SCHEMBL8949262 0.84 EGLN1 (0.45) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL8949141 0.84 EGLN1 (0.45) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL8949256 0.84 EGLN1 (0.45) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL9260471 0.82 CNR2 (0.41) CNR2CNR1
SCHEMBL8949106 0.79 CNR2 (0.56) CNR2CNR1BRD4MEN1RAB9A
Hydrochloric Acid SCHEMBL8949076 0.79 CNR2 (0.64) CNR2CNR1BRD4CRHR1CRHR2
SCHEMBL8949294 0.78 CNR1 (0.46) CNR2CNR1CHRM4MEN1KMT2A

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