SCHEMBL30274696

SCHEMBL30274696

COc1ccc2[nH]cc(CCN3CCCC(C(N)=O)C3=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.57
KDM4E B2RXH2 3/20 0.54
HTR1A P08908 5/20 0.53
HTR1B P28222 3/20 0.53
MTNR1A P48039 4/20 0.53
MTNR1B P49286 3/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 2/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR1D P28221 1/20 0.49
HTR2C P28335 1/20 0.49
HTR7 P34969 1/20 0.49
HTR6 P50406 1/20 0.49

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
SCHEMBL26134277 0.86 GAA (0.49) HTR2AKDM4EHTR1AHTR1BALDH1A1
SCHEMBL30274792 0.83 SMN1; SMN2 (0.58) HTR2AMTNR1AALDH1A1MAPTKMT2A
SCHEMBL11536860 0.78 HTR2A (0.68) HTR2AHTR1AHTR1BMTNR1AMTNR1B
SCHEMBL9532459 0.77 HTR2A (0.53) HTR2AKDM4EHTR1AMTNR1AMTNR1B
SCHEMBL32669413 0.74 HTR2A (0.67) HTR2AKDM4EHTR1AHTR1BMAPT
SCHEMBL27191685 0.74 HTR1A (0.65) HTR2AHTR1AHTR1BMTNR1AMTNR1B
SCHEMBL27206364 0.74 HTR1A (0.65) HTR2AHTR1AHTR1BMTNR1AMTNR1B
SCHEMBL10491444 0.74 KMT2A (0.51) HTR2AKDM4EHTR1AMTNR1AMTNR1B
SCHEMBL13576556 0.74 NQO2 (0.65) HTR2AHTR1AHTR1BMTNR1AMTNR1B
SCHEMBL10867787 0.74 HTR2A (0.66) HTR2AKDM4EHTR1AHTR1BMTNR1A

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
EP-4142714-A1 N-ACETYLSEROTONIN DERIVATIVES AS TRKB ACTIVATORS AND USES THEREOF Emory University (US) 2023-03-08 EP disclosed