SCHEMBL8722757

SCHEMBL8722757

COc1ccccc1N1CCN(C(=O)CCCCOc2ccccc2N2CCN(C)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.65
HTR1A P08908 3/20 0.65
TSHR P16473 2/20 0.62
AVPR2 P30518 1/20 0.61
AVPR1A P37288 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
DRD3 P35462 1/20 0.59
HTR7 P34969 2/20 0.59
MEN1 O00255 2/20 0.57
LMNA P02545 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 2/20 0.57
MAPK1 P28482 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
RAB9A P51151 1/20 0.56
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55

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 0.99 HTR1A (0.67) DRD2HTR1ATSHRAVPR2AVPR1A
SCHEMBL8902187 0.99 HTR1A (0.67) DRD2HTR1ATSHRAVPR2AVPR1A
SCHEMBL8724506 0.99 HTR1A (0.67) DRD2HTR1ATSHRAVPR2AVPR1A
SCHEMBL8902002 0.90 KMT2A (0.58) DRD2HTR1ATSHRAVPR2AVPR1A
SCHEMBL8901810 0.86 MAPT (0.67) DRD2HTR1ATSHRAVPR2AVPR1A
SCHEMBL8722760 0.86 MAPT (0.67) DRD2HTR1ATSHRAVPR2AVPR1A
SCHEMBL8723365 0.86 TSHR (0.83) DRD2HTR1ATSHRL3MBTL1ALDH1A1
SCHEMBL8722383 0.85 HTR1A (0.58) DRD2HTR1AAVPR2AVPR1AALDH1A1
SCHEMBL1374039 0.85 HTR1A (0.65) DRD2HTR1ATSHRL3MBTL1ALDH1A1
SCHEMBL7367526 0.84 L3MBTL1 (0.67) DRD2HTR1ATSHRL3MBTL1ALDH1A1

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