SCHEMBL17058259

SCHEMBL17058259

CC(C)(F)CCCCCCOc1c(N2CCNCC2)cnn(-c2cccc(F)c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.39
▸ HTR6 P50406 4/20 0.39
▸ HTR1D P28221 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ SLC2A3 P11169 1/20 0.39
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NCOA3 Q9Y6Q9 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
SCHEMBL17058324 0.92 HTR1A (0.38) HTR1AHTR6HTR1DHTR2AHTR7
SCHEMBL17057793 0.92 POLB (0.39) HTR1AHTR6HTR1DHTR2AHTR7
SCHEMBL17057927 0.88 HTR6 (0.41) HTR1AHTR6HTR1DHTR2AHTR7
SCHEMBL17057886 0.87 POLB (0.37) HTR1AHTR2ASLC2A1SLC2A3POLB
SCHEMBL11944431 0.86 POLB (0.43) HTR1AHTR6HTR2AHTR7SLC2A1
SCHEMBL17058140 0.84 USP2 (0.35) HTR1AHTR6HTR1DHTR2AHTR7
SCHEMBL17058306 0.79 TP53 (0.44) HTR1AHTR6HTR1DHTR2AHTR7
SCHEMBL11944545 0.79 POLB (0.42) HTR1AHTR6HTR2AHTR7SLC2A1
SCHEMBL11944418 0.77 MAPT (0.45) SLC2A1SLC2A3POLBCYP3A4CYP2C19
SCHEMBL11944534 0.77 MAPT (0.43) SLC2A1SLC2A3POLBCYP3A4CYP2C19

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-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
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