SCHEMBL16948834

SCHEMBL16948834

CC1CC(=O)Nc2[nH]nc(C3CCN(c4ncc(C(F)(F)F)cn4)CC3)c21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 8/20 0.49
▸ CXCR3 P49682 1/20 0.40
▸ PRKCB P05771 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ RPS6KA1 Q15418 1/20 0.39
▸ TIPARP Q7Z3E1 10/20 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
SCHEMBL16648673 0.77 LCAT (0.72) LCAT
SCHEMBL16948816 0.77 LCAT (0.56) LCAT
SCHEMBL16948831 0.71 LCAT (0.56) LCAT
SCHEMBL16948785 0.71 LCAT (0.51) LCAT
SCHEMBL16648763 0.70 LCAT (0.55) LCAT
SCHEMBL16803493 0.69 LCAT (0.45) LCATCXCR3
SCHEMBL19485091 0.69 LCAT (0.63) LCAT
SCHEMBL25075358 0.68 LCAT (0.41) LCATCXCR3TIPARP
SCHEMBL18138646 0.67 LCAT (0.75) LCAT
SCHEMBL18138551 0.67 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-2015111545-A1 CONDENSED PYRAZOLE DERIVATIVE 第一三共株式会社 2015-07-30 — — WO disclosed
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