SCHEMBL7988232

SCHEMBL7988232

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc(C#N)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 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.45
ITGA2B P08514 3/20 0.45
FPR1 P21462 5/20 0.38
FPR2 P25090 5/20 0.38
KDM1A O60341 1/20 0.37
P2RX7 Q99572 1/20 0.36
ADORA1 P30542 1/20 0.35
KMT2A Q03164 1/20 0.35
HCRTR2 O43614 2/20 0.35
CTSG P08311 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
SCHEMBL7992897 0.93 ITGB3 (0.52) ITGB3ITGA2BFPR1FPR2KDM1A
SCHEMBL7986284 0.92 ITGB3 (0.46) ITGB3ITGA2BP2RX7ADORA1KMT2A
SCHEMBL7985802 0.92 ITGB3 (0.46) ITGB3ITGA2BFPR1FPR2KDM1A
SCHEMBL7975417 0.92 ITGB3 (0.47) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7975414 0.92 ITGB3 (0.47) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7975307 0.90 ITGB3 (0.58) ITGB3ITGA2BP2RX7ADORA1KMT2A
SCHEMBL7986800 0.89 ITGB3 (0.44) ITGB3ITGA2BP2RX7ADORA1KMT2A
SCHEMBL7975356 0.89 ITGB3 (0.42) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7975357 0.89 ITGB3 (0.42) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7986328 0.87 ITGB3 (0.39) ITGB3ITGA2BADORA1KMT2A

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