SCHEMBL31406210

SCHEMBL31406210

COc1ccccc1[C@H]1C[C@@H]2CCC[C@H]1N2N1C(=O)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP19A1 P11511 1/20 0.38
HSD11B1 P28845 3/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CHRNA7 P36544 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
SCHEMBL31406215 0.79 HRH3 (0.39)
SCHEMBL31406211 0.79 LMNA (0.44) HTR2AHTR2CHTR2BALDH1A1KDM4E
SCHEMBL31406193 0.78 SLC6A3 (0.45) KMT2A
SCHEMBL31406199 0.76 SLC6A3 (0.47) HTR2AHTR2CHTR2B
SCHEMBL6393978 0.70 ALDH1A1 (0.50) HTR2BALDH1A1GAAHPGDCASP1
SCHEMBL21335510 0.69 HTR2A (0.56) HTR2AHTR2CHTR2BALDH1A1GAA
SCHEMBL6395443 0.69 ALDH1A1 (0.53) ALDH1A1GAAHPGDHSD17B10LMNA
SCHEMBL512351 0.67 HTR2C (0.47) HTR2AHTR2CHTR2BHSD11B1KMT2A
SCHEMBL17356788 0.66 HTR2C (0.50) HTR2AHTR2CHTR2BHSD11B1KMT2A
SCHEMBL17356800 0.65 HTR2C (0.49) HTR2AHTR2CHTR2BHSD11B1KMT2A

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-2025014719-A2 TROPANE COMPOUNDS FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-16 WO disclosed