SCHEMBL7988872

SCHEMBL7988872

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(N)=S)cc1Cl)C2

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.61
ITGA2B P08514 2/20 0.61
NPC1 O15118 1/20 0.36
HCRTR2 O43614 5/20 0.36
HCRTR1 O43613 3/20 0.36
LMNA P02545 2/20 0.35
BACE1 P56817 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CCR3 P51677 2/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 1/20 0.33
P2RX7 Q99572 1/20 0.32

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
SCHEMBL7986442 0.94 ITGB3 (0.63) ITGB3ITGA2BHCRTR2HCRTR1LMNA
SCHEMBL7986245 0.94 ITGB3 (0.69) ITGB3ITGA2BNPC1HCRTR2HCRTR1
SCHEMBL7986803 0.92 ITGB3 (0.61) ITGB3ITGA2BHCRTR2HCRTR1LMNA
SCHEMBL7986773 0.92 ITGB3 (0.60) ITGB3ITGA2BHCRTR2HCRTR1BACE1
Trifluoroacetic Acid SCHEMBL7975186 0.90 ITGB3 (0.66) ITGB3ITGA2BNPC1HCRTR2HCRTR1
SCHEMBL7989575 0.89 ITGB3 (0.62) ITGB3ITGA2BHCRTR2HCRTR1LMNA
SCHEMBL7974918 0.88 ITGB3 (0.55) ITGB3ITGA2BNPC1HCRTR2HCRTR1
SCHEMBL7989513 0.88 ITGB3 (0.71) ITGB3ITGA2BHCRTR2HCRTR1LMNA
SCHEMBL8132941 0.86 ITGB3 (0.55) ITGB3ITGA2BNPC1HCRTR2HCRTR1
SCHEMBL7989233 0.86 ITGB3 (0.69) ITGB3ITGA2BHCRTR2HCRTR1CCR3

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