SCHEMBL7985239

SCHEMBL7985239

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(=NC(=O)OC(C)(C)C)NCc3ccccc3)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.42
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HCRTR2 O43614 5/20 0.40
KMT2A Q03164 1/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HCRTR1 O43613 3/20 0.36
P2RX7 Q99572 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
P2RY12 Q9H244 1/20 0.35
ROCK2 O75116 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 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
SCHEMBL7985777 0.92 ITGB3 (0.41) ADORA1ITGB3ITGA2BHCRTR2KMT2A
SCHEMBL7975424 0.87 ITGB3 (0.40) ADORA1ITGB3ITGA2BHCRTR2KMT2A
Trifluoroacetic Acid SCHEMBL7975353 0.86 ITGB3 (0.44) ADORA1ITGB3ITGA2BHCRTR2KMT2A
SCHEMBL7985559 0.83 ADORA1 (0.50) ADORA1ITGB3ITGA2BHCRTR2KMT2A
SCHEMBL7985759 0.83 ADORA1 (0.39) ADORA1ITGB3ITGA2BHCRTR2KMT2A
SCHEMBL7989036 0.83 ADORA1 (0.35) ADORA1ITGB3ITGA2BKMT2APRMT5
SCHEMBL7986852 0.83 ADORA1 (0.46) ADORA1ITGB3ITGA2BHCRTR2KMT2A
SCHEMBL7986850 0.83 ADORA1 (0.46) ADORA1ITGB3ITGA2BHCRTR2KMT2A
SCHEMBL7988424 0.82 ITGB3 (0.57) ADORA1ITGB3ITGA2BHCRTR2KMT2A
Hydrochloric Acid SCHEMBL7986317 0.81 ITGB3 (0.56) ADORA1ITGB3ITGA2BHCRTR2KMT2A

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