SCHEMBL7974918

SCHEMBL7974918

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
FPR1 P21462 9/20 0.38
FPR2 P25090 9/20 0.38
NPC1 O15118 1/20 0.36
BACE1 P56817 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HCRTR2 O43614 4/20 0.35
HCRTR1 O43613 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CCR3 P51677 1/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7988230 0.94 ITGB3 (0.58) ITGB3ITGA2BFPR1FPR2HCRTR2
SCHEMBL7975863 0.92 ITGB3 (0.55) ITGB3ITGA2BFPR1FPR2HCRTR2
SCHEMBL7975790 0.92 ITGB3 (0.54) ITGB3ITGA2BFPR1FPR2ALDH1A1
SCHEMBL7988493 0.89 ITGB3 (0.66) ITGB3ITGA2BFPR1FPR2HCRTR2
SCHEMBL7992684 0.88 ITGB3 (0.56) ITGB3ITGA2BFPR1FPR2HCRTR2
SCHEMBL7986245 0.88 ITGB3 (0.69) ITGB3ITGA2BNPC1BACE1ALDH1A1
SCHEMBL7988872 0.88 ITGB3 (0.61) ITGB3ITGA2BNPC1BACE1ALDH1A1
SCHEMBL8132941 0.87 ITGB3 (0.55) ITGB3ITGA2BNPC1BACE1ALDH1A1
Trifluoroacetic Acid SCHEMBL7975186 0.85 ITGB3 (0.66) ITGB3ITGA2BNPC1BACE1ALDH1A1
SCHEMBL7986442 0.83 ITGB3 (0.63) ITGB3ITGA2BALDH1A1MAPTHCRTR2

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