SCHEMBL5319797

SCHEMBL5319797

COC(=O)Nc1ccc(C)c(C2CCN(Cc3ccc(S(=O)(=O)C4CCOCC4)cc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
ADRA1A P35348 1/20 0.49
DDIT3 P35638 1/20 0.41
LMNA P02545 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GALR3 O60755 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MAPK1 P28482 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTR2A P28223 1/20 0.39
POLB P06746 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL5321977 0.89 DRD2 (0.60) DRD2ADRA1A
SCHEMBL4810317 0.84 DRD2 (0.52) DRD2ADRA1ALMNAKMT2AMEN1
SCHEMBL4617774 0.78 DRD2 (0.54) DRD2ADRA1ALMNAKMT2AMEN1
SCHEMBL5321154 0.78 DRD2 (0.56) DRD2ADRA1AMAPK1TP53
SCHEMBL5394994 0.77 DRD2 (0.46) DRD2ADRA1ALMNAKMT2AMEN1
SCHEMBL4617038 0.75 DRD2 (0.51) DRD2ADRA1AKMT2AKDM4ESMN1; SMN2
SCHEMBL4811463 0.74 DRD2 (0.47) DRD2ADRA1ALMNAKMT2AMEN1
SCHEMBL5324223 0.74 DRD2 (0.66) DRD2ADRA1A
SCHEMBL14396922 0.73 DRD2 (0.53) DRD2ADRA1AKMT2AMEN1
SCHEMBL4615167 0.73 DRD2 (0.64) DRD2ADRA1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007114902-A2 ALKYLTHIOBENZYLPIPERIDINE COMPOUNDS H.LUNDBECK A/S (DK) 2007-10-11 WO claimed
WO-2007114902-A2 ALKYLTHIOBENZYLPIPERIDINE COMPOUNDS H.LUNDBECK A/S (DK) 2007-10-11 WO disclosed
WO-2007114902-A2 ALKYLTHIOBENZYLPIPERIDINE COMPOUNDS H.LUNDBECK A/S (DK) 2007-10-11 WO disclosed