SCHEMBL8900932

SCHEMBL8900932

NCC(=O)N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.83
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
KCNH2 Q12809 1/20 0.66
TSHR P16473 1/20 0.61
HSD11B1 P28845 1/20 0.56
NOS3 P29474 1/20 0.55
NOS1 P29475 1/20 0.55
FAAH O00519 1/20 0.55
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
SLC6A3 Q01959 1/20 0.54
CHRM3 P20309 1/20 0.53
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53

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
SCHEMBL8527247 0.94 SIGMAR1 (0.75) SIGMAR1MEN1KMT2AKCNH2TSHR
Hydrochloric Acid SCHEMBL7989578 0.93 SIGMAR1 (0.73) SIGMAR1MEN1KMT2AKCNH2TSHR
Hydrochloric Acid SCHEMBL7982333 0.90 SIGMAR1 (0.97) SIGMAR1TSHRFAAH
SCHEMBL8525748 0.86 SIGMAR1 (0.90) SIGMAR1FAAHCHRM3
Hydrochloric Acid SCHEMBL7989870 0.85 SIGMAR1 (0.87) SIGMAR1TSHRFAAHCHRM3
SCHEMBL4140482 0.84 MEN1 (0.66) SIGMAR1MEN1KMT2AKCNH2TSHR
SCHEMBL3030886 0.84 MEN1 (0.66) SIGMAR1MEN1KMT2AKCNH2TSHR
SCHEMBL544161 0.84 SIGMAR1 (0.68) SIGMAR1MEN1KMT2ATSHRFAAH
SCHEMBL5524549 0.84 MEN1 (0.69) SIGMAR1MEN1KMT2AKCNH2TSHR
SCHEMBL2927709 0.83 MEN1 (0.73) SIGMAR1MEN1KMT2AKCNH2TSHR

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