SCHEMBL7992331

SCHEMBL7992331

CCCCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc(OC(=O)C(F)(F)F)cc1)NC(=O)c1ccc(C(=N)N)cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.43
ITGA2B P08514 8/20 0.43
HCRTR2 O43614 5/20 0.38
KMT2A Q03164 1/20 0.37
HCRTR1 O43613 3/20 0.36
PRSS1 P07477 5/20 0.35
TMPRSS15 P98073 5/20 0.35
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL8140594 0.94 ITGB3 (0.49) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
SCHEMBL7989240 0.94 ITGB3 (0.49) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
SCHEMBL7985679 0.89 ITGB3 (0.46) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
Trifluoroacetic Acid SCHEMBL7975354 0.85 ITGB3 (0.49) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
Trifluoroacetic Acid SCHEMBL7975791 0.85 ITGB3 (0.49) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
Trifluoroacetic Acid SCHEMBL7986493 0.85 ITGB3 (0.49) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
Trifluoroacetic Acid SCHEMBL7974814 0.85 ITGB3 (0.48) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
Trifluoroacetic Acid SCHEMBL7985201 0.84 ITGB3 (0.47) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
Trifluoroacetic Acid SCHEMBL7985418 0.83 ITGB3 (0.44) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
Trifluoroacetic Acid SCHEMBL8123335 0.83 ITGB3 (0.47) ITGB3ITGA2BHCRTR2KMT2AHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed