SCHEMBL16803493

SCHEMBL16803493

C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@H]1c1n[nH]c2c1C(C(F)(F)F)CC(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 5/20 0.45
▸ CXCR3 P49682 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL16948816 0.87 LCAT (0.56) LCATKDM4EGPR119ABL1LMNA
SCHEMBL16803503 0.80 LCAT (0.61) LCAT
SCHEMBL16803480 0.80 LCAT (0.61) LCAT
SCHEMBL16803487 0.80 LCAT (0.61) LCAT
SCHEMBL16948785 0.78 LCAT (0.51) LCAT
SCHEMBL16948831 0.73 LCAT (0.56) LCAT
SCHEMBL16803465 0.70 DPP4 (0.47) LCATKDM4EGPR119ABL1LMNA
SCHEMBL16803456 0.70 LCAT (0.67) LCAT
SCHEMBL16948834 0.69 LCAT (0.49) LCATCXCR3
SCHEMBL18138551 0.69 LCAT (0.75) 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
WO-2015087995-A1 CYCLOALKYL OR HETEROCYCLYL PYRAZOLOPYRIDINE DERIVATIVE 第一三共株式会社 2015-06-18 — — WO disclosed
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