SCHEMBL7989124

SCHEMBL7989124

CCOC(=O)Cc1cc2c(s1)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 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.39
FPR1 P21462 6/20 0.38
FPR2 P25090 6/20 0.38
KDM1A O60341 1/20 0.36
HCRTR2 O43614 2/20 0.36
P2RX7 Q99572 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
KMT2A Q03164 1/20 0.34
CTSG P08311 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
SCHEMBL7986394 0.92 ADORA1 (0.40) ADORA1FPR1FPR2KDM1AHCRTR2
SCHEMBL7986852 0.92 ADORA1 (0.46) ADORA1HCRTR2ITGB3ITGA2BKMT2A
SCHEMBL7986850 0.92 ADORA1 (0.46) ADORA1HCRTR2ITGB3ITGA2BKMT2A
SCHEMBL7974847 0.92 ADORA1 (0.39) ADORA1HCRTR2P2RX7ITGB3ITGA2B
SCHEMBL7989321 0.91 ADORA1 (0.40) ADORA1HCRTR2ITGB3ITGA2BKMT2A
SCHEMBL7975130 0.90 ADORA1 (0.42) ADORA1FPR2HCRTR2ITGB3ITGA2B
SCHEMBL7975424 0.90 ITGB3 (0.40) ADORA1HCRTR2P2RX7ITGB3ITGA2B
SCHEMBL7989447 0.90 ADORA1 (0.38) ADORA1FPR1FPR2HCRTR2ITGB3
SCHEMBL7975399 0.90 ADORA1 (0.42) ADORA1HCRTR2P2RX7ITGB3ITGA2B
SCHEMBL7975295 0.88 ADORA1 (0.41) ADORA1FPR2HCRTR2P2RX7ITGB3

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