SCHEMBL8949166

SCHEMBL8949166

COC(=O)CC1CCN(C(=O)c2cc(-c3ccc(C(=N)N)cc3)nn(CC(=O)N3CCOCC3)c2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.38
PRSS1 P07477 3/20 0.38
ITGB3 P05106 11/20 0.38
ITGA2B P08514 11/20 0.38
POLB P06746 2/20 0.37
USP2 O75604 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
F10 P00742 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36

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
SCHEMBL8949045 0.91 ITGB3 (0.45) F2ITGB3ITGA2B
SCHEMBL8949249 0.80 CNR2 (0.41) F2POLBALDH1A1HPGDSMN1; SMN2
SCHEMBL8949244 0.79 POLB (0.39) F2ITGB3ITGA2BPOLBUSP2
SCHEMBL8949242 0.79 POLB (0.39) F2ITGB3ITGA2BPOLBUSP2
SCHEMBL8949199 0.77 ITGB3 (0.43) F2ITGB3ITGA2BPOLBKDM4E
SCHEMBL8948967 0.77 POLB (0.47) PRSS1ITGB3ITGA2BPOLBKDM4E
Hydrochloric Acid SCHEMBL8949111 0.76 ITGB3 (0.43) F2ITGB3ITGA2BPOLBKDM4E
SCHEMBL9571672 0.76 ITGB3 (0.38) F2PRSS1ITGB3ITGA2BPOLB
SCHEMBL9571670 0.76 ITGB3 (0.38) F2PRSS1ITGB3ITGA2BPOLB
SCHEMBL8949281 0.74 CNR2 (0.40) F2ITGB3ITGA2BPOLBALDH1A1

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