SCHEMBL7976869

SCHEMBL7976869

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

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.66
ITGA2B P08514 2/20 0.66
ADORA1 P30542 1/20 0.38
KMT2A Q03164 1/20 0.37
HCRTR2 O43614 5/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
P2RX7 Q99572 2/20 0.35
LMNA P02545 1/20 0.35
CA2 P00918 1/20 0.34
HRH2 P25021 3/20 0.33
HRH1 P35367 3/20 0.33
HCRTR1 O43613 3/20 0.33
CCR3 P51677 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 0.94 ITGB3 (0.69) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7975964 0.93 ITGB3 (0.63) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7992590 0.93 ITGB3 (0.66) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7992637 0.92 ITGB3 (0.67) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7975713 0.92 ITGB3 (0.63) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7989271 0.91 ITGB3 (0.64) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7989161 0.91 ITGB3 (0.70) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7988313 0.91 ITGB3 (0.59) ITGB3ITGA2BADORA1KMT2APPARG
SCHEMBL7989392 0.90 ITGB3 (0.65) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7989735 0.90 ITGB3 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed