SCHEMBL7975386

SCHEMBL7975386

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc(NC(=O)c3ccccc3)cc1)NC(=O)OC(C)(C)C)C2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.53
ITGB3 P05106 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGA2B P08514 1/20 0.47
ITGB5 P18084 1/20 0.47
HCRTR2 O43614 4/20 0.45
KMT2A Q03164 3/20 0.44
PABPC1 P11940 1/20 0.44
MAPK1 P28482 1/20 0.41
HCRTR1 O43613 2/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
FPR2 P25090 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7989016 0.91 ADORA1 (0.54) ADORA1HCRTR2KMT2APABPC1MAPK1
SCHEMBL7985627 0.88 ADORA1 (0.52) ADORA1HCRTR2KMT2APABPC1MAPK1
SCHEMBL7975784 0.88 ADORA1 (0.53) ADORA1HCRTR2KMT2APABPC1MAPK1
SCHEMBL7975130 0.88 ADORA1 (0.42) ADORA1ITGB3ITGB1ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7975986 0.88 ITGB3 (0.46) ADORA1ITGB3ITGB1ITGAVITGA2B
SCHEMBL7985657 0.87 ADORA1 (0.50) ADORA1HCRTR2KMT2APABPC1MAPK1
SCHEMBL7986065 0.87 ADORA1 (0.51) ADORA1HCRTR2KMT2APABPC1MAPK1
SCHEMBL7992666 0.87 ADORA1 (0.56) ADORA1ITGB3ITGA2BHCRTR2KMT2A
SCHEMBL7986071 0.87 ADORA1 (0.52) ADORA1HCRTR2KMT2APABPC1MAPK1
SCHEMBL7986565 0.87 ADORA1 (0.55) ADORA1KMT2AHRH2HRH1

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