SCHEMBL8902187

SCHEMBL8902187

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.67
DRD2 P14416 3/20 0.67
AVPR2 P30518 1/20 0.62
AVPR1A P37288 1/20 0.62
TSHR P16473 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HTR7 P34969 3/20 0.58
DRD3 P35462 1/20 0.58
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 2/20 0.56
MAPK1 P28482 2/20 0.56
HTR1D P28221 2/20 0.56
HTR1B P28222 2/20 0.56
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56

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
SCHEMBL8901177 1.00 HTR1A (0.67) HTR1ADRD2AVPR2AVPR1ATSHR
SCHEMBL8724506 1.00 HTR1A (0.67) HTR1ADRD2AVPR2AVPR1ATSHR
SCHEMBL8722757 0.99 DRD2 (0.65) HTR1ADRD2AVPR2AVPR1ATSHR
SCHEMBL8902002 0.89 KMT2A (0.58) HTR1ADRD2AVPR2AVPR1ATSHR
SCHEMBL8722760 0.87 MAPT (0.67) HTR1ADRD2AVPR2AVPR1ATSHR
SCHEMBL8901810 0.87 MAPT (0.67) HTR1ADRD2AVPR2AVPR1ATSHR
SCHEMBL1374039 0.86 HTR1A (0.65) HTR1ADRD2TSHRL3MBTL1ALDH1A1
SCHEMBL8723365 0.85 TSHR (0.83) HTR1ADRD2TSHRL3MBTL1ALDH1A1
SCHEMBL28907245 0.85 HTR1A (0.67) HTR1ADRD2TSHRL3MBTL1ALDH1A1
SCHEMBL28523079 0.85 HTR1A (0.67) HTR1ADRD2TSHRL3MBTL1ALDH1A1

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