SCHEMBL25809485

SCHEMBL25809485

COc1cc(C#N)ccc1CCNCc1ccccc1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.71
HTR2C P28335 5/20 0.53
TAAR1 Q96RJ0 3/20 0.50
MPO P05164 3/20 0.48
HRH1 P35367 2/20 0.47
OPRM1 P35372 2/20 0.47
OPRK1 P41145 2/20 0.47
HTR2B P41595 2/20 0.47
HTR6 P50406 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 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
SCHEMBL25809492 0.88 HTR2A (0.56) HTR2AHTR2CMPOHRH1OPRM1
SCHEMBL25809589 0.84 HTR2A (0.54) HTR2AHTR2CTAAR1MPOHRH1
SCHEMBL25809486 0.81 HTR2A (0.55) HTR2AHTR2CMPOKMT2AMEN1
SCHEMBL27002040 0.79 HTR2A (0.72) HTR2AHTR2CTAAR1MPOHRH1
SCHEMBL25809490 0.78 HTR2A (0.60) HTR2AHTR2CKMT2AMEN1KDM4E
SCHEMBL25809531 0.78 HTR2A (0.76) HTR2AHTR2CTAAR1MPOHRH1
SCHEMBL25809437 0.78 HTR2A (0.63) HTR2AHTR2CKMT2A
SCHEMBL27002133 0.78 HTR2A (0.70) HTR2AHTR2CTAAR1MPOHRH1
SCHEMBL25809489 0.77 HTR2A (0.61) HTR2AHTR2CKDM4EALDH1A1LMNA
SCHEMBL25809444 0.77 HTR2A (0.55) HTR2AHTR2CKMT2AKDM4EALDH1A1

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