SCHEMBL8976367

SCHEMBL8976367

COc1ccc(CN2CCN(C(=O)C(C)=Cc3ccccc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
FAAH O00519 1/20 0.60
SIGMAR1 Q99720 2/20 0.59
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
ACHE P22303 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL8976365 1.00 MEN1 (0.64) MEN1KMT2AFAAHSIGMAR1POLB
SCHEMBL8954080 0.89 KMT2A (0.69) MEN1KMT2AFAAHPKMALDH1A1
SCHEMBL8954085 0.89 KMT2A (0.69) MEN1KMT2AFAAHPKMALDH1A1
SCHEMBL8976665 0.88 SIGMAR1 (0.58) MEN1KMT2AFAAHSIGMAR1POLB
SCHEMBL8976668 0.88 SIGMAR1 (0.58) MEN1KMT2AFAAHSIGMAR1POLB
SCHEMBL8976376 0.87 MEN1 (0.67) MEN1KMT2AFAAHSIGMAR1PKM
SCHEMBL8976630 0.87 MEN1 (0.67) MEN1KMT2AFAAHSIGMAR1POLB
SCHEMBL8976380 0.87 MEN1 (0.67) MEN1KMT2AFAAHSIGMAR1PKM
SCHEMBL8976627 0.87 MEN1 (0.67) MEN1KMT2AFAAHSIGMAR1POLB
SCHEMBL8976614 0.81 SIGMAR1 (0.65) MEN1KMT2AFAAHSIGMAR1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1053441-C Compound with 1-(aryl Chain olefine)-4-(aryl methyl) piperazine structure, preparation process thereof and medicine thereof ADIR ET CO (FR) 2000-06-14 CN claimed
CN-1133288-A Compound with 1-(aryl Chain olefine)-4-(aryl methyl) piperazine structure, preparation process thereof and medicine thereof ADIR (FR) 1996-10-16 CN claimed
EP-0707004-A1 1-Arylalcenyl 4-arylmethylpiperazinderivatives, process for their preparation and pharmaceutical composition containing them ADIR ET COMPAGNIE (FR) 1996-04-17 EP claimed
EP-0707004-A1 1-Arylalcenyl 4-arylmethylpiperazinderivatives, process for their preparation and pharmaceutical composition containing them ADIR ET COMPAGNIE (FR) 1996-04-17 EP disclosed