SCHEMBL7975424

SCHEMBL7975424

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])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 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
ADORA1 P30542 2/20 0.38
LMNA P02545 1/20 0.37
HCRTR2 O43614 5/20 0.35
KMT2A Q03164 2/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CA2 P00918 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
HCRTR1 O43613 3/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL7985759 0.94 ADORA1 (0.39) ITGB3ITGA2BADORA1LMNAHCRTR2
SCHEMBL7989036 0.94 ADORA1 (0.35) ITGB3ITGA2BADORA1LMNAKMT2A
SCHEMBL7992152 0.93 ITGB3 (0.40) ITGB3ITGA2BADORA1HCRTR2KMT2A
SCHEMBL7986751 0.93 ITGB3 (0.44) ITGB3ITGA2BADORA1HCRTR2KMT2A
SCHEMBL7986394 0.92 ADORA1 (0.40) ITGB3ITGA2BADORA1HCRTR2KMT2A
SCHEMBL7986850 0.92 ADORA1 (0.46) ITGB3ITGA2BADORA1HCRTR2KMT2A
SCHEMBL7986852 0.92 ADORA1 (0.46) ITGB3ITGA2BADORA1HCRTR2KMT2A
SCHEMBL7986216 0.92 ADORA1 (0.33) ITGB3ITGA2BADORA1LMNAPRMT5
SCHEMBL7974847 0.91 ADORA1 (0.39) ITGB3ITGA2BADORA1HCRTR2KMT2A
SCHEMBL7989321 0.90 ADORA1 (0.40) ITGB3ITGA2BADORA1HCRTR2KMT2A

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