SCHEMBL8722874

SCHEMBL8722874

CN1CCN(c2ccccc2OCCCCCCC(=O)N2CCC(c3ccccc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.58
AVPR1A P37288 1/20 0.58
HTR1A P08908 3/20 0.51
DRD2 P14416 2/20 0.51
HTR7 P34969 3/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD3 P35462 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL8720267 1.00 AVPR2 (0.58) AVPR2AVPR1AHTR1ADRD2HTR7
SCHEMBL8921897 0.85 AVPR2 (0.54) AVPR2AVPR1AHTR1ADRD2HTR7
SCHEMBL8901168 0.85 AVPR2 (0.54) AVPR2AVPR1AHTR1ADRD2HTR7
SCHEMBL8901177 0.84 HTR1A (0.67) AVPR2AVPR1AHTR1ADRD2HTR7
SCHEMBL8724506 0.84 HTR1A (0.67) AVPR2AVPR1AHTR1ADRD2HTR7
SCHEMBL8902187 0.84 HTR1A (0.67) AVPR2AVPR1AHTR1ADRD2HTR7
SCHEMBL8907755 0.83 AVPR2 (0.53) AVPR2AVPR1AHTR1ADRD2HTR7
SCHEMBL8724727 0.83 ADRA1D (0.55) AVPR2AVPR1ADRD2HTR7ALDH1A1
SCHEMBL8722757 0.83 DRD2 (0.65) AVPR2AVPR1AHTR1ADRD2HTR7
SCHEMBL8720703 0.83 ADRA1D (0.55) AVPR2AVPR1ADRD2HTR7ALDH1A1

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 2 patents. 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
WO-1997014689-A1 ARYL-PIPERAZINE CYCLIC AMINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PIERRE FABRE MEDICAMENT (FR) 1997-04-24 WO disclosed