SCHEMBL7975964

SCHEMBL7975964

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(=N)NC(=O)OCCOC(C)(C)C)cc1)C2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.63
ITGA2B P08514 4/20 0.63
KMT2A Q03164 1/20 0.36
HCRTR2 O43614 5/20 0.35
P2RX7 Q99572 1/20 0.34
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 1/20 0.34
CA2 P00918 1/20 0.33
ADORA1 P30542 1/20 0.33
HCRTR1 O43613 3/20 0.32
CCR3 P51677 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
HRH2 P25021 2/20 0.31
HRH1 P35367 2/20 0.31

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
SCHEMBL7986765 0.94 ITGB3 (0.69) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7976869 0.93 ITGB3 (0.66) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7975504 0.91 ITGB3 (0.63) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7975713 0.91 ITGB3 (0.63) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7992590 0.91 ITGB3 (0.66) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7989271 0.91 ITGB3 (0.64) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7992637 0.91 ITGB3 (0.67) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7988421 0.89 ITGB3 (0.66) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7989509 0.89 ITGB3 (0.64) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7989161 0.89 ITGB3 (0.70) ITGB3ITGA2BKMT2AHCRTR2P2RX7

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