SCHEMBL7992637

SCHEMBL7992637

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.67
ITGA2B P08514 3/20 0.67
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
HCRTR2 O43614 5/20 0.37
P2RX7 Q99572 1/20 0.36
CA2 P00918 1/20 0.35
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 3/20 0.34
BACE1 P56817 1/20 0.34
CCR3 P51677 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33

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 0.95 ITGB3 (0.69) ITGB3ITGA2BLMNAKMT2AHCRTR2
SCHEMBL7989509 0.92 ITGB3 (0.64) ITGB3ITGA2BLMNAKMT2AHCRTR2
SCHEMBL7976869 0.92 ITGB3 (0.66) ITGB3ITGA2BLMNAKMT2AHCRTR2
SCHEMBL7989161 0.92 ITGB3 (0.70) ITGB3ITGA2BLMNAKMT2AHCRTR2
SCHEMBL7989392 0.92 ITGB3 (0.65) ITGB3ITGA2BLMNAKMT2AHCRTR2
SCHEMBL7992590 0.92 ITGB3 (0.66) ITGB3ITGA2BLMNAKMT2AHCRTR2
SCHEMBL7988421 0.91 ITGB3 (0.66) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7989735 0.91 ITGB3 (0.66) ITGB3ITGA2BLMNAKMT2AHCRTR2
SCHEMBL7975964 0.91 ITGB3 (0.63) ITGB3ITGA2BLMNAKMT2AHCRTR2
SCHEMBL7975713 0.91 ITGB3 (0.63) ITGB3ITGA2BLMNAKMT2AHCRTR2

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