SCHEMBL5272452

SCHEMBL5272452

O=C(OC1CNCC=C1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1)N(Cc1ccccc1Cl)C1CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.54
CYP3A4 P08684 2/20 0.49
CTSD P07339 1/20 0.48
CTSE P14091 1/20 0.48

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
SCHEMBL5276668 0.93 REN (0.46) RENCYP3A4CTSDCTSE
SCHEMBL5276857 0.91 REN (0.45) RENCYP3A4CTSDCTSE
SCHEMBL5276272 0.91 REN (0.46) RENCYP3A4CTSDCTSE
SCHEMBL5276233 0.90 REN (0.44) RENCYP3A4CTSDCTSE
SCHEMBL5280198 0.90 REN (0.48) RENCYP3A4CTSDCTSE
SCHEMBL5276771 0.90 REN (0.47) RENCYP3A4CTSDCTSE
SCHEMBL5278748 0.89 REN (0.45) RENCYP3A4CTSDCTSE
SCHEMBL5272190 0.88 REN (0.44) RENCYP3A4CTSDCTSE
SCHEMBL5274458 0.86 REN (0.42) RENCYP3A4CTSDCTSE
SCHEMBL5274727 0.86 REN (0.46) RENCYP3A4CTSDCTSE

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-1620403-B1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-11-28 EP claimed