SCHEMBL8720632

SCHEMBL8720632

COc1ccccc1N1CCN(CC(=O)Nc2ccccc2N2CCN(C)CC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
NPSR1 Q6W5P4 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
ALDH1A1 P00352 6/20 0.69
TSHR P16473 5/20 0.69
MAPT P10636 4/20 0.65
TP53 P04637 1/20 0.65
DRD4 P21917 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.62
RECQL P46063 1/20 0.61
HTR1A P08908 3/20 0.61
HTR7 P34969 3/20 0.61
GAA P10253 1/20 0.61
USP2 O75604 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HTT P42858 1/20 0.60
KDM4E B2RXH2 1/20 0.60

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
SCHEMBL1644843 0.87 L3MBTL1 (0.79) MEN1KMT2ANPSR1CYP1A2CYP2C9
SCHEMBL8722756 0.86 MAPT (0.72) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL14207957 0.82 MAPT (0.66) MEN1KMT2ANPSR1CYP1A2CYP2C9
SCHEMBL5796341 0.81 MAPT (0.65) MEN1KMT2ANPSR1CYP1A2CYP2C9
SCHEMBL977710 0.80 ALDH1A1 (0.65) MEN1KMT2ANPSR1CYP1A2CYP2C9
SCHEMBL8443672 0.79 ALDH1A1 (0.65) MEN1KMT2ANPSR1CYP1A2CYP2C9
SCHEMBL17946603 0.78 CACNA1G (0.72) MEN1KMT2ANPSR1ALDH1A1TSHR
SCHEMBL4005507 0.78 DRD4 (1.00) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL5796448 0.78 KDM4E (0.70) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL4004151 0.78 GAA (0.59) MEN1KMT2ANPSR1CYP1A2CYP2C9

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-1998042692-A1 PIPERAZINES DERIVED FROM CYCLIC AMINES, PREPARATION AND APPLICATION THEREOF AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 1998-10-01 WO disclosed