SCHEMBL27366265

SCHEMBL27366265

COc1cnc2cccc(CCN(C)Cc3ccc(CCN(C)C)c4nc(OC)ccc34)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.45
MTNR1B P49286 10/20 0.44
MTNR1A P48039 8/20 0.44
OPRL1 P41146 1/20 0.37
HTR6 P50406 3/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1E P28566 1/20 0.33
HTR1F P30939 1/20 0.33
HTR7 P34969 1/20 0.33
HTR3A P46098 1/20 0.33
HTR5A P47898 1/20 0.33

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
SCHEMBL27366855 0.82 HTR2A (0.60) HTR2AMTNR1BMTNR1AHTR6HTR2C
SCHEMBL31331960 0.69 MTNR1A (0.58) HTR2AMTNR1BMTNR1A
SCHEMBL27366783 0.69 MTNR1A (0.58) HTR2AMTNR1BMTNR1A
SCHEMBL27366858 0.68 MTNR1B (0.65) HTR2AMTNR1BMTNR1AHTR6HTR2C
SCHEMBL14400285 0.66 MTNR1B (0.64) MTNR1BMTNR1AL3MBTL1
SCHEMBL591672 0.65 MTNR1A (0.62) HTR2AMTNR1BMTNR1AHTR2CHTR2B
SCHEMBL591634 0.64 MTNR1A (0.68) MTNR1BMTNR1AL3MBTL1
SCHEMBL31331983 0.64 HTR2A (1.00) HTR2AMTNR1BMTNR1AHTR6HTR2C
SCHEMBL8021734 0.64 HTR2A (1.00) HTR2AMTNR1BMTNR1AHTR6HTR2C
Hydrochloric Acid SCHEMBL8573356 0.63 HTR2A (0.97) HTR2AMTNR1BMTNR1AHTR6HTR2C

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-2023230649-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-12-07 WO disclosed