SCHEMBL14035482

SCHEMBL14035482

FC(F)(F)[C@@H](c1ccccc1)N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
KCNH2 Q12809 2/20 0.54
KCNA5 P22460 1/20 0.54
SLC6A4 P31645 12/20 0.51
SLC6A2 P23975 10/20 0.51
CYP2D6 P10635 1/20 0.48
OPRD1 P41143 4/20 0.48
TACR1 P25103 1/20 0.45
SLC6A3 Q01959 3/20 0.44

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
SCHEMBL4095744 1.00 MEN1 (0.59) MEN1KMT2AKCNH2KCNA5SLC6A4
SCHEMBL14035305 1.00 MEN1 (0.59) MEN1KMT2AKCNH2KCNA5SLC6A4
Hydrochloric Acid SCHEMBL23211984 0.98 MEN1 (0.58) MEN1KMT2AKCNH2KCNA5SLC6A4
SCHEMBL30330107 0.84 SLC6A2 (0.48) MEN1KMT2AKCNH2KCNA5SLC6A4
SCHEMBL16121132 0.83 CYP2D6 (0.41) MEN1KMT2AKCNH2KCNA5SLC6A4
SCHEMBL31010334 0.81 KCNA5 (0.57) MEN1KMT2AKCNH2KCNA5CYP2D6
Hydrochloric Acid SCHEMBL7405456 0.80 KCNA5 (0.55) MEN1KMT2AKCNH2KCNA5CYP2D6
SCHEMBL6926672 0.79 CYP2D6 (0.59) MEN1KMT2AKCNH2KCNA5SLC6A4
SCHEMBL4094666 0.78 HRH3 (0.42) MEN1KMT2AKCNH2KCNA5SLC6A4
SCHEMBL4099833 0.78 HRH3 (0.42) MEN1KMT2AKCNH2KCNA5SLC6A4

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-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed