SCHEMBL7985231

SCHEMBL7985231

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc(NS(=O)(=O)c3ccccc3)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 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.40
HCRTR2 O43614 5/20 0.38
KMT2A Q03164 1/20 0.36
HCRTR1 O43613 3/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
P2RX7 Q99572 2/20 0.34
USP30 Q70CQ3 2/20 0.33
P2RY12 Q9H244 1/20 0.33
ROCK2 O75116 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL7988540 0.94 USP30 (0.38) ADORA1KMT2AP2RX7USP30
SCHEMBL7975295 0.93 ADORA1 (0.41) ADORA1HCRTR2KMT2AHCRTR1ITGB3
SCHEMBL7975130 0.93 ADORA1 (0.42) ADORA1HCRTR2KMT2AHCRTR1ITGB3
SCHEMBL7989447 0.93 ADORA1 (0.38) ADORA1HCRTR2KMT2AHCRTR1ITGB3
SCHEMBL7986850 0.93 ADORA1 (0.46) ADORA1HCRTR2KMT2AHCRTR1ITGB3
SCHEMBL7986852 0.93 ADORA1 (0.46) ADORA1HCRTR2KMT2AHCRTR1ITGB3
SCHEMBL7986490 0.90 ADORA1 (0.37) ADORA1HCRTR2KMT2AHCRTR1ITGB3
SCHEMBL7975775 0.90 ADORA1 (0.43) ADORA1HCRTR2KMT2AHCRTR1ITGB3
SCHEMBL7986394 0.89 ADORA1 (0.40) ADORA1HCRTR2KMT2AHCRTR1ITGB3
SCHEMBL7975399 0.89 ADORA1 (0.42) ADORA1HCRTR2KMT2AHCRTR1ITGB3

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