SCHEMBL7989735

SCHEMBL7989735

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(=N)NC(=O)Oc3ccccc3)cc1)C2

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.66
ITGA2B P08514 3/20 0.66
KMT2A Q03164 1/20 0.41
HCRTR2 O43614 5/20 0.40
P2RX7 Q99572 1/20 0.40
HCRTR1 O43613 3/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA2 P00918 1/20 0.35
CCR3 P51677 1/20 0.34
LMNA P02545 1/20 0.34

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 0.93 ITGB3 (0.69) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7988421 0.93 ITGB3 (0.66) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7988905 0.91 ITGB3 (0.64) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7992637 0.91 ITGB3 (0.67) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7976869 0.90 ITGB3 (0.66) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7989161 0.90 ITGB3 (0.70) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7989392 0.89 ITGB3 (0.65) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7992590 0.89 ITGB3 (0.66) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7989509 0.89 ITGB3 (0.64) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7975964 0.88 ITGB3 (0.63) 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 3 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
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed