SCHEMBL16795602

SCHEMBL16795602

O=C(CCl)c1cc2ccc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
GPR183 P32249 2/20 0.42
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
ALOX15 P16050 5/20 0.40
METAP2 P50579 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
IDO1 P14902 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MPL P40238 1/20 0.39
YAP1 P46937 1/20 0.39
TEAD4 Q15561 1/20 0.39
TEAD2 Q15562 1/20 0.39
ESR1 P03372 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
SCHEMBL30067540 0.83 HRH4 (0.45) P2RY14HRH4GPR183ALOX15METAP2
SCHEMBL27904158 0.83 FLT3 (0.53) P2RY14HRH4GPR183METAP2MPL
SCHEMBL3643672 0.81 HPGD (0.54) P2RY14HRH4METAP2IDO1MPL
SCHEMBL29619366 0.80 P2RY14 (0.50) P2RY14HRH4GPR183PLGPLAU
SCHEMBL16795745 0.78 ALOX15 (0.61) HRH4GPR183PLGPLAUALOX15
SCHEMBL926647 0.77 CFTR (0.49) P2RY14HRH4ALOX15
SCHEMBL34471210 0.77 CFTR (0.49) P2RY14HRH4ALOX15
SCHEMBL29619390 0.76 ALOX15 (0.65) ALOX15ESR1
SCHEMBL6173063 0.76 MEN1 (0.50) P2RY14GPR183ALOX15ESR1
SCHEMBL2139103 0.76 ALOX15 (0.65) ALOX15ESR1

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-2015087094-A1 NEW ARYLALKENYLPROPARGYLAMINE DERIVATIVES EXHIBITING NEUROPROTECTIVE ACTION FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SEMMELWEIS EGYETEM (HU) 2015-06-18 WO disclosed