SCHEMBL7988313

SCHEMBL7988313

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C)C2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.59
ITGA2B P08514 1/20 0.59
ADORA1 P30542 2/20 0.46
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
P2RX7 Q99572 3/20 0.38
KMT2A Q03164 3/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 1/20 0.36
HRH2 P25021 3/20 0.35
HRH1 P35367 3/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL7976869 0.91 ITGB3 (0.66) ITGB3ITGA2BADORA1PPARGPPARA
SCHEMBL7989135 0.89 ADORA1 (0.48) ITGB3ITGA2BADORA1P2RX7KMT2A
SCHEMBL7988287 0.89 ADORA1 (0.48) ITGB3ITGA2BADORA1P2RX7KMT2A
SCHEMBL7974848 0.89 ADORA1 (0.56) ITGB3ITGA2BADORA1P2RX7KMT2A
SCHEMBL7988765 0.87 ADORA1 (0.46) ITGB3ITGA2BADORA1P2RX7KMT2A
SCHEMBL7985147 0.86 ADORA1 (0.48) ITGB3ITGA2BADORA1PPARGPPARA
SCHEMBL7986273 0.86 ITGB3 (0.52) ITGB3ITGA2BADORA1P2RX7KMT2A
SCHEMBL7988438 0.86 ADORA1 (0.48) ITGB3ITGA2BADORA1PPARGPPARA
SCHEMBL7992293 0.85 ADORA1 (0.46) ITGB3ITGA2BADORA1PPARGPPARA
SCHEMBL7986765 0.85 ITGB3 (0.69) ITGB3ITGA2BP2RX7KMT2ARAB9A

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