SCHEMBL25969463

SCHEMBL25969463

COc1ccc2[nH]c(C)c(CCN3CC=CC3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.64
HTR6 P50406 2/20 0.64
ALDH1A1 P00352 9/20 0.64
GAA P10253 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HTR1A P08908 2/20 0.61
SLC6A2 P23975 2/20 0.61
HTR1E P28566 1/20 0.61
HTR7 P34969 1/20 0.61
HTR5A P47898 1/20 0.61
MAPT P10636 7/20 0.56
KDM4E B2RXH2 6/20 0.56
TSHR P16473 1/20 0.56
MCL1 Q07820 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
AKR1C2 P52895 1/20 0.54
HSD17B10 Q99714 3/20 0.53
ALOX15 P16050 1/20 0.52

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
SCHEMBL25969475 0.86 TSHR (0.56) HTR1DHTR6ALDH1A1GAASMN1; SMN2
SCHEMBL11520036 0.86 HTR1D (0.62) HTR1DHTR6ALDH1A1GAASMN1; SMN2
SCHEMBL9090770 0.84 ALDH1A1 (0.61) HTR1DHTR6ALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL11522973 0.79 ALDH1A1 (0.56) HTR1DHTR6ALDH1A1GAASMN1; SMN2
SCHEMBL11520569 0.79 HSD17B10 (0.71) HTR1DHTR6ALDH1A1GAASMN1; SMN2
SCHEMBL8555235 0.79 HTR1D (0.76) HTR1DHTR6ALDH1A1GAASMN1; SMN2
SCHEMBL26675948 0.79 MAOA (0.54) HTR1DHTR6ALDH1A1GAASMN1; SMN2
SCHEMBL11519362 0.79 ALDH1A1 (0.54) HTR1DHTR6ALDH1A1GAASMN1; SMN2
SCHEMBL4231080 0.78 HTR1D (0.74) HTR1DHTR6ALDH1A1GAASMN1; SMN2
SCHEMBL4244966 0.78 HTR1D (1.00) HTR1DHTR6ALDH1A1GAASMN1; SMN2

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-2023150547-A2 PSYCHEDELIC COMPOUNDS AND THEIR THERAPEUTIC USES CAAMTECH, INC. (US) 2023-08-10 WO disclosed