SCHEMBL8949357

SCHEMBL8949357

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.59
CNR1 P21554 5/20 0.59
BRD4 O60885 3/20 0.43
TRIM24 O15164 1/20 0.43
BRD1 O95696 1/20 0.43
CCL2 P13500 1/20 0.43
TAF1 P21675 1/20 0.43
BRD2 P25440 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
BRPF1 P55201 1/20 0.43
EP300 Q09472 1/20 0.43
BPTF Q12830 1/20 0.43
CACNA1C Q13936 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
PBRM1 Q86U86 1/20 0.43
TAF1L Q8IZX4 1/20 0.43
CREBBP Q92793 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
SCHEMBL8949106 0.92 CNR2 (0.56) CNR2CNR1BRD4TRIM24BRD1
SCHEMBL8949296 0.92 CNR2 (0.60) CNR2CNR1BRD4TRIM24BRD1
Hydrochloric Acid SCHEMBL8949172 0.89 CNR2 (0.63) CNR2CNR1BRD4TRIM24BRD1
Hydrochloric Acid SCHEMBL8949181 0.88 CNR2 (0.46) CNR2CNR1KMT2AMEN1CRHR1
Hydrochloric Acid SCHEMBL8949338 0.88 CNR2 (0.45) CNR2CNR1CRHR1CRHR2KLK7
SCHEMBL8949327 0.86 CNR2 (0.60) CNR2CNR1BRD4TRIM24BRD1
Hydrochloric Acid SCHEMBL8949174 0.86 CNR2 (0.46) CNR2CNR1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL8949274 0.85 CNR1 (0.44) CNR2CNR1KMT2AMEN1KLK7
Hydrochloric Acid SCHEMBL8949187 0.85 CNR2 (0.43) CNR2CNR1KMT2AMEN1CRHR1
SCHEMBL8949131 0.85 CFTR (0.42) CNR2CNR1KLK7SMN1; 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