SCHEMBL7974847

SCHEMBL7974847

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(C(=NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.39
HCRTR2 O43614 5/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
KMT2A Q03164 1/20 0.35
HCRTR1 O43613 3/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
P2RX7 Q99572 1/20 0.33
EPHX2 P34913 1/20 0.32
PPARG P37231 1/20 0.32
ROCK2 O75116 2/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL7986394 0.94 ADORA1 (0.40) ADORA1HCRTR2ITGB3ITGA2BKMT2A
SCHEMBL7989321 0.93 ADORA1 (0.40) ADORA1HCRTR2ITGB3ITGA2BKMT2A
SCHEMBL7986850 0.93 ADORA1 (0.46) ADORA1HCRTR2ITGB3ITGA2BKMT2A
SCHEMBL7986852 0.93 ADORA1 (0.46) ADORA1HCRTR2ITGB3ITGA2BKMT2A
SCHEMBL7989124 0.92 ADORA1 (0.39) ADORA1HCRTR2ITGB3ITGA2BKMT2A
SCHEMBL7989447 0.91 ADORA1 (0.38) ADORA1HCRTR2ITGB3ITGA2BKMT2A
SCHEMBL7975424 0.91 ITGB3 (0.40) ADORA1HCRTR2ITGB3ITGA2BKMT2A
SCHEMBL7975130 0.91 ADORA1 (0.42) ADORA1HCRTR2ITGB3ITGA2BKMT2A
SCHEMBL7975399 0.90 ADORA1 (0.42) ADORA1HCRTR2ITGB3ITGA2BKMT2A
SCHEMBL7988540 0.89 USP30 (0.38) ADORA1KMT2AP2RX7

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