SCHEMBL7992197

SCHEMBL7992197

CCOC(=O)Cn1ncc2c1CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(=N)N)cc1)C2

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.63
ITGA2B P08514 6/20 0.63
KMT2A Q03164 1/20 0.40
HCRTR2 O43614 5/20 0.40
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.38
P2RX7 Q99572 1/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HCRTR1 O43613 3/20 0.36
PLG P00747 1/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
CCR3 P51677 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
Hydrochloric Acid SCHEMBL7986126 0.99 ITGB3 (0.62) ITGB3ITGA2BKMT2AHCRTR2CA2
Trifluoroacetic Acid SCHEMBL7989366 0.96 ITGB3 (0.61) ITGB3ITGA2BKMT2AHCRTR2CA2
SCHEMBL7962201 0.86 ITGB3 (0.83) ITGB3ITGA2BKMT2AHCRTR2CA2
SCHEMBL7986489 0.85 ITGB3 (0.64) ITGB3ITGA2BKMT2AHCRTR2CA2
Hydrochloric Acid SCHEMBL7986123 0.85 ITGB3 (0.82) ITGB3ITGA2BKMT2AHCRTR2CA2
SCHEMBL7992293 0.85 ADORA1 (0.46) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7975256 0.83 ITGB3 (0.44) ITGB3ITGA2BKMT2AHCRTR2CA2
Trifluoroacetic Acid SCHEMBL7989642 0.82 ITGB3 (0.79) ITGB3ITGA2BKMT2AHCRTR2CA2
Trifluoroacetic Acid SCHEMBL7975402 0.82 ITGB3 (0.62) ITGB3ITGA2BKMT2AHCRTR2CA2
SCHEMBL8138260 0.81 ITGB3 (0.58) ITGB3ITGA2BKMT2AHCRTR2CA2

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