SCHEMBL8907755

SCHEMBL8907755

CN1CCN(c2ccccc2OCCCCC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.53
AVPR1A P37288 1/20 0.53
HTR1A P08908 3/20 0.46
DRD2 P14416 2/20 0.46
HTR7 P34969 1/20 0.46
LMNA P02545 2/20 0.46
NPY2R P49146 2/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.44
PAX8 Q06710 1/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL8722874 0.83 AVPR2 (0.58) AVPR2AVPR1AHTR1ADRD2HTR7
SCHEMBL8720267 0.83 AVPR2 (0.58) AVPR2AVPR1AHTR1ADRD2HTR7
SCHEMBL8921897 0.83 AVPR2 (0.54) AVPR2AVPR1AHTR1ADRD2HTR7
SCHEMBL8901168 0.83 AVPR2 (0.54) AVPR2AVPR1AHTR1ADRD2HTR7
SCHEMBL8901143 0.82 AVPR2 (0.52) AVPR2AVPR1AHTR1ADRD2HTR7
SCHEMBL8722757 0.81 DRD2 (0.65) AVPR2AVPR1AHTR1ADRD2HTR7
SCHEMBL8901177 0.80 HTR1A (0.67) AVPR2AVPR1AHTR1ADRD2HTR7
SCHEMBL8902187 0.80 HTR1A (0.67) AVPR2AVPR1AHTR1ADRD2HTR7
SCHEMBL8724506 0.80 HTR1A (0.67) AVPR2AVPR1AHTR1ADRD2HTR7
SCHEMBL8913367 0.79 HTT (0.51) AVPR2AVPR1AHTR1ADRD2LMNA

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