SCHEMBL8345866

SCHEMBL8345866

CC1=C(C(=O)OCC2CC2)C(c2ccc(C#N)cc2)NC(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.85
▸ CYP2C9 P11712 6/20 0.85
▸ CYP3A4 P08684 3/20 0.58
▸ ADRB1 P08588 1/20 0.57
▸ HTR1A P08908 1/20 0.57
▸ HRH3 Q9Y5N1 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
SCHEMBL3482731 0.92 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL1764353 0.92 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL392232 0.92 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL13872095 0.90 ELANE (0.87) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL13872092 0.90 ELANE (0.87) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL3707890 0.90 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL2894380 0.90 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL14899925 0.90 ELANE (0.89) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL2894512 0.89 ELANE (0.86) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL8345298 0.89 ELANE (0.84) ELANECYP2C9CYP3A4ADRB1HTR1A

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
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