SCHEMBL17057927

SCHEMBL17057927

O=c1c(OCCCCCCCCCCCCCCCCO)c(N2CCNCC2)cnn1-c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.41
▸ HTR1A P08908 4/20 0.41
▸ HTR2B P41595 3/20 0.41
▸ HTR1D P28221 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR7 P34969 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ SLC2A1 P11166 2/20 0.38
▸ SLC2A3 P11169 2/20 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
SCHEMBL17058306 0.91 TP53 (0.44) HTR6HTR1AHTR2BHTR1DHTR2A
SCHEMBL17058324 0.89 HTR1A (0.38) HTR6HTR1AHTR2BHTR1DHTR2A
SCHEMBL17058259 0.88 HTR1A (0.39) HTR6HTR1AHTR2BHTR1DHTR2A
SCHEMBL17057793 0.87 POLB (0.39) HTR6HTR1AHTR2BHTR1DHTR2A
SCHEMBL11944377 0.83 POLB (0.45) HTR1AHTR2BHTR2AHTR2CPOLB
SCHEMBL17058027 0.82 HTR7 (0.43) HTR6HTR1AHTR2BHTR1DHTR2A
SCHEMBL17058140 0.80 USP2 (0.35) HTR6HTR1AHTR2BHTR1DHTR2A
SCHEMBL11945824 0.79 HTR1A (0.43) HTR6HTR1AHTR2BHTR1DHTR2A
SCHEMBL11946512 0.78 CYP3A4 (0.43) HTR6HTR1AHTR2BHTR1DHTR2A
SCHEMBL11946175 0.78 HTR6 (0.42) HTR6HTR1AHTR2BHTR1DHTR2A

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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