SCHEMBL122115

SCHEMBL122115

CC1=C(OC(=O)O)[C@@H](c2ccc(C#N)cc2[N+](=O)[O-])NC(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 19/20 0.58
CYP2C9 P11712 6/20 0.58
CYP2C8 P10632 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL122018 1.00 ELANE (0.58) ELANECYP2C9CYP2C8CYP2C19ADRB1
SCHEMBL1154897 0.89 ELANE (0.62) ELANECYP2C9CYP2C8CYP2C19ADRB1
SCHEMBL122017 0.89 ELANE (0.62) ELANECYP2C9CYP2C8CYP2C19ADRB1
SCHEMBL122114 0.89 ELANE (0.62) ELANECYP2C9CYP2C8CYP2C19ADRB1
SCHEMBL2617947 0.87 ELANE (0.72) ELANECYP2C9CYP2C8CYP2C19ADRB1
SCHEMBL123977 0.86 ELANE (0.62) ELANECYP2C9CYP2C8CYP2C19ADRB1
SCHEMBL122770 0.86 ELANE (0.75) ELANECYP2C9
SCHEMBL124338 0.85 ELANE (0.64) ELANECYP2C9
SCHEMBL126645 0.85 ELANE (0.64) ELANECYP2C9
SCHEMBL122466 0.85 ELANE (0.77) ELANECYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417112-B1 SULFONIC AMIDE AND SULFOXIMINE-SUBSTITUTED DIARYL-DIHYDROPYRIMIDINONES AND USAGE THEREOF BAYER IP GMBH (DE) 2014-07-09 EP disclosed
EP-2234985-B1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF Bayer Pharma AG (DE) 2012-03-07 EP disclosed
EP-2417112-A1 SULFONIC AMIDE AND SULFOXIMINE-SUBSTITUTED DIARYL-DIHYDROPYRIMIDINONES AND USAGE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-02-15 EP disclosed
WO-2010115548-A1 SULFONIC AMIDE AND SULFOXIMINE-SUBSTITUTED DIARYL-DIHYDROPYRIMIDINONES AND USAGE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 WO disclosed