SCHEMBL8345247

SCHEMBL8345247

CC1=C(C(=O)N(C)C)C(c2ccc(C#N)cc2)NC(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 19/20 0.81
CYP2C9 P11712 6/20 0.81
ADRB1 P08588 1/20 0.62
HTR1A P08908 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
CYP3A4 P08684 1/20 0.61
CYP2C8 P10632 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL2678515 0.91 ELANE (0.67) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL2892278 0.90 ELANE (0.77) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL395186 0.90 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL394677 0.90 ELANE (0.85) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL391816 0.90 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL394085 0.90 ELANE (0.85) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL4449580 0.90 ELANE (0.85) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL1245247 0.89 ELANE (0.84) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8347976 0.89 ELANE (0.84) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8344863 0.87 ELANE (0.83) ELANECYP2C9ADRB1HTR1AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 US disclosed
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 US disclosed
WO-2004024700-A1 PYRIMIDINONE DERIVATIVES AS THERAPEUTIC AGENTS AGAINST ACUTE AND CHRONIC INFLAMMATORY, ISCHAEMIC AND REMODELLING PROCESSES BAYER HEALTHCARE AG (DE) 2004-03-25 WO disclosed