SCHEMBL25968472

SCHEMBL25968472

c1cc2c(cc1C[C@@H]1CCCCN1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
CYP3A4 P08684 5/20 0.46
SLC6A3 Q01959 3/20 0.46
CYP2D6 P10635 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A1 P30531 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRM4 P08173 1/20 0.44
DRD2 P14416 1/20 0.44
HTR7 P34969 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A4 P31645 2/20 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
SCHEMBL5928971 1.00 POLB (0.54) POLBCYP3A4SLC6A3CYP2D6SLC6A2
SCHEMBL27090452 0.95 POLB (0.47) POLBCYP3A4SLC6A3CYP2D6SLC6A2
SCHEMBL27075576 0.95 POLB (0.47) POLBCYP3A4SLC6A3CYP2D6SLC6A2
SCHEMBL31151854 0.95 POLB (0.47) POLBCYP3A4SLC6A3CYP2D6SLC6A2
SCHEMBL27075574 0.95 POLB (0.47) POLBCYP3A4SLC6A3CYP2D6SLC6A2
SCHEMBL6968326 0.79 CYP3A4 (0.46) CYP3A4SLC6A3CYP2D6SLC6A2SLC6A1
Hydrochloric Acid SCHEMBL6132969 0.78 CYP3A4 (0.45) CYP3A4SLC6A3CYP2D6SLC6A2SLC6A1
SCHEMBL7741578 0.78 CYP3A4 (0.56) POLBCYP3A4SLC6A3CYP2D6SLC6A2
SCHEMBL5191447 0.78 HPGD (0.57) POLBKDM4EALDH1A1HSD17B10MEN1
SCHEMBL7739723 0.76 CYP3A4 (0.55) POLBCYP3A4SLC6A3CYP2D6SLC6A2

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