SCHEMBL8894983

SCHEMBL8894983

O=C(c1cccc(CCl)c1)N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.75
KMT2A Q03164 4/20 0.75
KCNH2 Q12809 1/20 0.75
LMNA P02545 2/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
SIGMAR1 Q99720 1/20 0.62
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HRH4 Q9H3N8 1/20 0.54
THRB P10828 1/20 0.54
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.52

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
SCHEMBL9426415 0.86 MEN1 (1.00) MEN1KMT2AKCNH2LMNATSHR
SCHEMBL17444669 0.85 MEN1 (0.75) MEN1KMT2AKCNH2LMNATSHR
SCHEMBL16233165 0.81 MEN1 (0.70) MEN1KMT2AKCNH2LMNATSHR
SCHEMBL9513269 0.81 KMT2A (0.71) MEN1KMT2AKCNH2LMNASMN1; SMN2
SCHEMBL6488922 0.81 SIGMAR1 (0.55) MEN1KMT2AKCNH2LMNATSHR
SCHEMBL25238918 0.81 MEN1 (0.89) MEN1KMT2AKCNH2SIGMAR1KDM4E
SCHEMBL17444586 0.81 KMT2A (0.68) MEN1KMT2AKCNH2LMNATSHR
SCHEMBL29809468 0.81 HPGD (0.59) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL5727652 0.81 HPGD (0.59) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL5655904 0.80 SMN1; SMN2 (0.57) MEN1KMT2ALMNATSHRMAPK1

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-1997014689-A1 ARYL-PIPERAZINE CYCLIC AMINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PIERRE FABRE MEDICAMENT (FR) 1997-04-24 WO disclosed