SCHEMBL18156594

SCHEMBL18156594

O=C1C[C@@H](C(F)(F)F)c2c(C3CCN(c4cc(C(=O)N5CCCCC5)c(C(F)(F)F)cn4)CC3)n[nH]c2N1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 19/20 0.63
▸ PARP1 P09874 1/20 0.35

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
SCHEMBL18138588 0.86 LCAT (0.79) LCAT
SCHEMBL18138592 0.86 LCAT (0.79) LCAT
SCHEMBL18138585 0.86 LCAT (0.79) LCAT
SCHEMBL16948831 0.78 LCAT (0.56) LCAT
SCHEMBL16948816 0.77 LCAT (0.56) LCAT
SCHEMBL18138602 0.77 LCAT (0.65) LCAT
SCHEMBL18138607 0.77 LCAT (0.65) LCAT
SCHEMBL18138606 0.77 LCAT (0.65) LCAT
SCHEMBL16948785 0.76 LCAT (0.51) LCAT
SCHEMBL16948620 0.75 LCAT (0.56) LCAT

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-3081566-A1 5-HYDROXY-4-(TRIFLUOROMETHYL)PYRAZOLOPYRIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2016-10-19 — — EP disclosed
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