SCHEMBL8717040

SCHEMBL8717040

CN1CCN(c2ccccc2OCCCCC(=O)N2CCC(C)(C(=O)c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.49
AVPR1A P37288 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 4/20 0.46
POLB P06746 3/20 0.46
HTR1A P08908 5/20 0.45
DRD2 P14416 5/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTR7 P34969 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8913367 0.83 HTT (0.51) AVPR2AVPR1AL3MBTL1ALDH1A1POLB
SCHEMBL8714738 0.81 AVPR2 (0.56) AVPR2AVPR1AL3MBTL1ALDH1A1POLB
SCHEMBL8722757 0.79 DRD2 (0.65) AVPR2AVPR1AL3MBTL1ALDH1A1POLB
SCHEMBL8901177 0.78 HTR1A (0.67) AVPR2AVPR1AL3MBTL1ALDH1A1POLB
SCHEMBL8902187 0.78 HTR1A (0.67) AVPR2AVPR1AL3MBTL1ALDH1A1POLB
SCHEMBL8724506 0.78 HTR1A (0.67) AVPR2AVPR1AL3MBTL1ALDH1A1POLB
SCHEMBL8713391 0.78 AVPR2 (0.53) AVPR2AVPR1AL3MBTL1ALDH1A1POLB
SCHEMBL8921897 0.76 AVPR2 (0.54) AVPR2AVPR1AALDH1A1POLBHTR1A
SCHEMBL8901810 0.75 MAPT (0.67) AVPR2AVPR1AALDH1A1POLBHTR1A
SCHEMBL8722760 0.75 MAPT (0.67) AVPR2AVPR1AALDH1A1POLBHTR1A

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-1998031669-A1 NOVEL ARYLPIPERAZINE DERIVED FROM PIPERIDINE AS ANTIDEPRESSANT MEDICINES PIERRE FABRE MEDICAMENT (FR) 1998-07-23 WO disclosed