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Sugi Predict / Compounds / SCHEMBL18809177

SCHEMBL18809177

SCHEMBL18809177

CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(CC(=O)OC)c(-c3ccc(F)c(C(=O)NC4(C)CC(C)C4)c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.40
▸ CYP2C8 P10632 5/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ NR1I2 O75469 1/20 0.38

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
SCHEMBL18809180 0.92 CYP3A4 (0.41) CYP3A4CYP2C8KCNH2CYP2C9CYP2C19
SCHEMBL16114142 0.90 CYP3A4 (0.41) CYP3A4CYP2C8KCNH2CYP2C9CYP2C19
SCHEMBL18809539 0.89 CYP3A4 (0.46) CYP3A4CYP2C8KCNH2NR1I2
SCHEMBL16113830 0.85 CYP3A4 (0.42) CYP3A4CYP2C8KCNH2CYP2C9CYP2C19
SCHEMBL18809495 0.84 CNR1 (0.44) CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL19385760 0.84 CYP3A4 (0.41) CYP3A4CYP2C8KCNH2CYP2C9CYP2C19
SCHEMBL19262409 0.83 CYP3A4 (0.38) CYP3A4CYP2C8KCNH2CYP2C9CYP2C19
SCHEMBL18809123 0.83 CYP3A4 (0.40) CYP3A4CYP2C8KCNH2CYP2C9CYP2C19
SCHEMBL18809181 0.82 CYP3A4 (0.38) CYP3A4CYP2C8KCNH2CYP2C9CYP2C19
SCHEMBL16133778 0.82 CYP3A4 (0.40) CYP3A4CYP2C8CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970174-B1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed