SCHEMBL8719239

SCHEMBL8719239

COc1ccccc1N1CCN(CC(=O)CCCCCOc2ccccc2N2CCN(C)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
HTR1A P08908 6/20 0.59
DRD2 P14416 5/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
DRD3 P35462 2/20 0.55
HTR7 P34969 4/20 0.54
HTR1D P28221 2/20 0.54
HTR1B P28222 2/20 0.54
HTR2A P28223 2/20 0.54
HTR2C P28335 2/20 0.54
HTR2B P41595 2/20 0.54
KCNH2 Q12809 2/20 0.54
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
NLRP1 Q9C000 1/20 0.53
DRD5 P21918 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
SCHEMBL8722372 0.99 KDM4E (0.63) KDM4EALDH1A1TDP1HTR1ADRD2
SCHEMBL8722375 0.89 KMT2A (0.50) KDM4EALDH1A1TDP1HTR1ADRD2
SCHEMBL8719240 0.86 HTR2A (0.55) KDM4EALDH1A1TDP1HTR1ADRD2
SCHEMBL8901177 0.85 HTR1A (0.67) KDM4EALDH1A1TDP1HTR1ADRD2
SCHEMBL8724506 0.85 HTR1A (0.67) KDM4EALDH1A1TDP1HTR1ADRD2
SCHEMBL8902187 0.85 HTR1A (0.67) KDM4EALDH1A1TDP1HTR1ADRD2
SCHEMBL8720336 0.84 ALDH1A1 (0.72) KDM4EALDH1A1TDP1HTR1ADRD2
SCHEMBL8724501 0.84 ALDH1A1 (0.72) KDM4EALDH1A1TDP1HTR1ADRD2
SCHEMBL8719445 0.84 ALDH1A1 (0.72) KDM4EALDH1A1TDP1HTR1ADRD2
SCHEMBL8719681 0.84 ALDH1A1 (0.72) KDM4EALDH1A1TDP1HTR1ADRD2

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