SCHEMBL8948967

SCHEMBL8948967

CCOC(=O)[C@H]1CC[C@H](NC(=O)c2cc(-c3ccc(C(=N)N)cc3)nn(CC(=O)N3CCOCC3)c2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
PRSS1 P07477 5/20 0.41
PRSS2 P07478 5/20 0.41
PRSS3 P35030 5/20 0.41
RXFP1 Q9HBX9 2/20 0.41
KMT2A Q03164 2/20 0.41
PLG P00747 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
TP53 P04637 2/20 0.40
THRB P10828 2/20 0.40
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
CNR2 P34972 4/20 0.39
CNR1 P21554 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL8949249 0.94 CNR2 (0.41) POLBST14CNR2CNR1HPGD
SCHEMBL8949281 0.90 CNR2 (0.40) POLBST14ITGB3ITGA2BCNR2
SCHEMBL8949199 0.90 ITGB3 (0.43) POLBST14ITGB3ITGA2BCNR2
Hydrochloric Acid SCHEMBL8949111 0.89 ITGB3 (0.43) POLBST14ITGB3ITGA2BCNR2
SCHEMBL8949217 0.89 CNR2 (0.42) PRSS1ST14TP53ITGB3ITGA2B
SCHEMBL8949068 0.86 POLB (0.41) POLBRXFP1KMT2ATP53THRB
SCHEMBL9571678 0.85 CNR2 (0.40) POLBCNR2CNR1HPGDALDH1A1
SCHEMBL8949028 0.82 HPGD (0.38) POLBCNR2CNR1HPGDALDH1A1
SCHEMBL9260471 0.81 CNR2 (0.41) POLBCNR2CNR1HPGD
Hydrochloric Acid SCHEMBL8949338 0.81 CNR2 (0.45) PRSS1PRSS2PRSS3PLGST14

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