SCHEMBL8558892

SCHEMBL8558892

CC(C)(C)OC(=O)N1CCc2sc(C(=O)CN)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
HDAC6 Q9UBN7 4/20 0.50
ESR2 Q92731 1/20 0.49
ADORA1 P30542 2/20 0.46
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
F2 P00734 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
MAPK1 P28482 1/20 0.40
MCHR1 Q99705 1/20 0.39
PRKCI P41743 1/20 0.38
NAMPT P43490 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
P2RX3 P56373 2/20 0.37

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
SCHEMBL6421478 0.87 NR1H2 (0.54) NR1H2HDAC6ESR2ADORA1BRD4
SCHEMBL8555269 0.85 HDAC6 (0.54) NR1H2HDAC6ESR2ADORA1BRD4
SCHEMBL743782 0.85 HDAC6 (0.54) NR1H2HDAC6ESR2ADORA1BRD4
SCHEMBL978284 0.84 HDAC6 (0.59) NR1H2HDAC6ESR2ADORA1BRD4
SCHEMBL1174301 0.84 ADORA1 (0.57) NR1H2HDAC6ESR2ADORA1BRD4
SCHEMBL6198277 0.83 NR1H2 (0.53) NR1H2HDAC6ESR2ADORA1BRD4
SCHEMBL1174513 0.83 HDAC6 (0.72) NR1H2HDAC6ESR2ADORA1BRD4
SCHEMBL29978161 0.83 NR1H2 (0.50) NR1H2HDAC6ESR2ADORA1BRD4
SCHEMBL6422061 0.82 NR1H2 (0.52) NR1H2HDAC6ESR2ADORA1BRD4
SCHEMBL14876121 0.82 NR1H2 (0.60) NR1H2HDAC6ESR2ADORA1BRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5698692-A INHIBIT BINDING BETWEEN PLATELET MEMBRANE GLYCOPROTEIN AND FIBRINOGEN MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-12-16 US disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed