SCHEMBL7986216

SCHEMBL7986216

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1Cl)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 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.33
MC4R P32245 3/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MC3R P41968 2/20 0.32
NPC1 O15118 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30

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
SCHEMBL7975424 0.92 ITGB3 (0.40) ADORA1ITGB3ITGA2BALDH1A1PRMT5
SCHEMBL7985759 0.90 ADORA1 (0.39) ADORA1ITGB3ITGA2BALDH1A1PRMT5
SCHEMBL7987060 0.86 ADORA1 (0.43) ADORA1MC4RALDH1A1MC3RNPC1
SCHEMBL7986850 0.85 ADORA1 (0.46) ADORA1ITGB3ITGA2B
SCHEMBL7986852 0.85 ADORA1 (0.46) ADORA1ITGB3ITGA2B
SCHEMBL7989036 0.85 ADORA1 (0.35) ADORA1ITGB3ITGA2BALDH1A1PRMT5
SCHEMBL7992152 0.85 ITGB3 (0.40) ADORA1ITGB3ITGA2BNPC1PRMT5
SCHEMBL7986394 0.84 ADORA1 (0.40) ADORA1ITGB3ITGA2B
SCHEMBL7989321 0.84 ADORA1 (0.40) ADORA1ITGB3ITGA2B
SCHEMBL7986751 0.84 ITGB3 (0.44) ADORA1ITGB3ITGA2BNPC1PRMT5

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