SCHEMBL25422975

SCHEMBL25422975

COc1ccc2c3c([nH]c2c1)CCN1CCC[C@@H]1C3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.51
HIF1A Q16665 2/20 0.48
JUN P05412 1/20 0.48
EPAS1 Q99814 1/20 0.48
HTR7 P34969 2/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
NISCH Q9Y2I1 1/20 0.48
CYP2D6 P10635 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP1A2 P05177 2/20 0.46
USP2 O75604 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44

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
SCHEMBL25773658 1.00 ADRA1A (0.51) ADRA1AHIF1AJUNEPAS1HTR7
SCHEMBL25425243 1.00 ADRA1A (0.51) ADRA1AHIF1AJUNEPAS1HTR7
SCHEMBL25773568 0.91 HTR7 (0.51) ADRA1AHIF1AJUNEPAS1HTR7
SCHEMBL25773567 0.91 HTR7 (0.51) ADRA1AHIF1AJUNEPAS1HTR7
SCHEMBL25773551 0.91 HTR7 (0.51) ADRA1AHIF1AJUNEPAS1HTR7
SCHEMBL25190533 0.85 HTR7 (0.55) ADRA1AHIF1AHTR7HTR1DHTR1B
SCHEMBL25773661 0.85 KIF11 (0.41) ADRA1AHIF1AJUNEPAS1HTR1D
SCHEMBL25773662 0.85 KIF11 (0.41) ADRA1AHIF1AJUNEPAS1HTR1D
SCHEMBL31596339 0.81 HTR1D (0.54) ADRA1AHIF1AJUNEPAS1HTR7
SCHEMBL25969443 0.81 HTR1D (0.54) ADRA1AHIF1AJUNEPAS1HTR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4448532-A1 FUSED PYRROLIDINE PSYCHOPLASTOGENS AND USES THEREOF Delix Therapeutics, Inc. (US) 2024-10-23 EP disclosed
WO-2023114320-A1 FUSED PYRROLIDINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
WO-2023114320-A1 FUSED PYRROLIDINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed