SCHEMBL8901143

SCHEMBL8901143

CN1CCN(c2ccccc2OCCCCC(=O)N2CCC(CCCc3ccccc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.52
AVPR1A P37288 1/20 0.52
AR P10275 1/20 0.51
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
DRD2 P14416 4/20 0.47
DRD3 P35462 2/20 0.47
HTR1A P08908 3/20 0.46
HTR7 P34969 2/20 0.46
FAAH O00519 1/20 0.45
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL8901168 0.90 AVPR2 (0.54) AVPR2AVPR1AKDM4EALDH1A1DRD2
SCHEMBL8722383 0.85 HTR1A (0.58) AVPR2AVPR1AARKDM4EALDH1A1
SCHEMBL8720267 0.83 AVPR2 (0.58) AVPR2AVPR1AKDM4EALDH1A1DRD2
SCHEMBL8722874 0.83 AVPR2 (0.58) AVPR2AVPR1AKDM4EALDH1A1DRD2
SCHEMBL8907755 0.82 AVPR2 (0.53) AVPR2AVPR1AKDM4EALDH1A1DRD2
SCHEMBL8921897 0.82 AVPR2 (0.54) AVPR2AVPR1AKDM4EALDH1A1DRD2
SCHEMBL8722757 0.80 DRD2 (0.65) AVPR2AVPR1AKDM4EALDH1A1DRD2
SCHEMBL8901177 0.79 HTR1A (0.67) AVPR2AVPR1AKDM4EALDH1A1DRD2
SCHEMBL8902187 0.79 HTR1A (0.67) AVPR2AVPR1AKDM4EALDH1A1DRD2
SCHEMBL8724506 0.79 HTR1A (0.67) AVPR2AVPR1AKDM4EALDH1A1DRD2

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