SCHEMBL25809489

SCHEMBL25809489

COc1cc(C#N)ccc1CCNCc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.61
SLC6A4 P31645 1/20 0.48
CACNA1G O43497 1/20 0.46
CACNA1B Q00975 1/20 0.46
PTGES2 Q9H7Z7 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
BCHE P06276 1/20 0.46
SLC2A1 P11166 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL25809490 0.89 HTR2A (0.60) HTR2ACACNA1GCACNA1BKDM4EALDH1A1
SCHEMBL25809444 0.87 HTR2A (0.55) HTR2ASLC6A4PTGES2SMN1; SMN2KDM4E
SCHEMBL25809437 0.81 HTR2A (0.63) HTR2ABCHEHTR2C
SCHEMBL25809486 0.80 HTR2A (0.55) HTR2ASMN1; SMN2KDM4ELMNAHTT
SCHEMBL25809485 0.77 HTR2A (0.71) HTR2ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL25809492 0.77 HTR2A (0.56) HTR2AHTR2C
SCHEMBL25809589 0.75 HTR2A (0.54) HTR2AKDM4EALDH1A1BCHEHTR2C
SCHEMBL25809647 0.75 HTR2A (0.51) HTR2ASLC6A4PTGES2HTR2C
SCHEMBL24734851 0.72 HTR2A (0.54) HTR2ACACNA1GCACNA1BBCHEHTR2C
SCHEMBL31218198 0.72 HTR2A (0.54) HTR2ACACNA1GCACNA1BBCHEHTR2C

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-2023130181-A1 PHENETHLYAMINES AND METHODS OF PREPARATION THEREOF BRIGHT MINDS BIOSCIENCES INC. (CA) 2023-07-13 WO disclosed