SCHEMBL25201002

SCHEMBL25201002

COc1ccc2c(ccn2C(OC(=O)/C=C/C(=O)OC(C(C)N(C)C)n2ccc3cc(OC)ccc32)C(C)N(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2C P28335 1/20 0.41
TUBB1 Q9H4B7 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
FABP4 P15090 1/20 0.38
PTGS2 P35354 3/20 0.38
PTGS1 P23219 2/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
TSHR P16473 2/20 0.38
CDC42 P60953 1/20 0.38
RAC1 P63000 1/20 0.38
CYP1A2 P05177 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL25209260 1.00 SLC6A2 (0.42) SLC6A2SLC6A4HTR2CTUBB1MTNR1A
SCHEMBL23927937 0.76 HTR2C (0.53) HTR2CTUBB1MTNR1AMTNR1BHDAC1
SCHEMBL25523270 0.75 HTR2C (0.48) SLC6A2SLC6A4HTR2CTUBB1MTNR1A
SCHEMBL25523286 0.75 HTR2C (0.48) SLC6A2SLC6A4HTR2CTUBB1MTNR1A
SCHEMBL25523295 0.75 HTR2C (0.48) SLC6A2SLC6A4HTR2CTUBB1MTNR1A
SCHEMBL25523282 0.75 HTR2C (0.48) SLC6A2SLC6A4HTR2CTUBB1MTNR1A
SCHEMBL25523289 0.75 HTR2C (0.48) SLC6A2SLC6A4HTR2CTUBB1MTNR1A
SCHEMBL18258592 0.75 AKR1C3 (0.54) SLC6A2SLC6A4HTR2CTUBB1MTNR1A
SCHEMBL18258591 0.75 AKR1C3 (0.54) SLC6A2SLC6A4HTR2CTUBB1MTNR1A
SCHEMBL3332580 0.75 HTR2C (0.52) SLC6A2SLC6A4HTR2CTUBB1MTNR1A

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-2023091974-A2 SALT AND SOLID FORMS OF (R)-1-(5-METHOXY-1 H-INDOL-1-YL)-N,N-DIMETHYLPROPAN-2-AMINE TERRAN BIOSCIENCES, INC. (US) 2023-05-25 WO disclosed