SCHEMBL25969443

SCHEMBL25969443

COc1ccc2[nH]c3c(c2c1)CCN1CCCC1C3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
DRD2 P14416 1/20 0.52
DRD1 P21728 1/20 0.52
DRD5 P21918 1/20 0.52
DRD3 P35462 1/20 0.52
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 3/20 0.51
ALOX15 P16050 3/20 0.51
HSD17B10 Q99714 2/20 0.51
RECQL P46063 2/20 0.51
LMNA P02545 1/20 0.51
THRB P10828 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
PMP22 Q01453 1/20 0.51
USP2 O75604 1/20 0.51
CYP2C9 P11712 1/20 0.51
ADRA1A P35348 3/20 0.48
KCNH2 Q12809 3/20 0.48

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
SCHEMBL31596339 1.00 HTR1D (0.54) HTR1DHTR1BDRD2DRD1DRD5
SCHEMBL25773551 0.91 HTR7 (0.51) HTR1DHTR1BDRD2DRD1DRD5
SCHEMBL25773567 0.91 HTR7 (0.51) HTR1DHTR1BDRD2DRD1DRD5
SCHEMBL25773568 0.91 HTR7 (0.51) HTR1DHTR1BDRD2DRD1DRD5
SCHEMBL25422975 0.81 ADRA1A (0.51) HTR1DHTR1BCYP1A2CYP2D6ALOX15
SCHEMBL25773658 0.81 ADRA1A (0.51) HTR1DHTR1BCYP1A2CYP2D6ALOX15
SCHEMBL25425243 0.81 ADRA1A (0.51) HTR1DHTR1BCYP1A2CYP2D6ALOX15
SCHEMBL30363189 0.81 MAPKAPK2 (0.56) HTR1DHTR1BADRA1AKCNH2ADRA1D
SCHEMBL30363250 0.81 MAPKAPK2 (0.56) HTR1DHTR1BADRA1AKCNH2ADRA1D
SCHEMBL25773569 0.79 DRD1 (0.52) DRD2DRD1DRD5DRD3CYP1A2

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