SCHEMBL31406211

SCHEMBL31406211

COc1cccc([C@H]2C[C@@H]3CCC[C@H]2N3N2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CYP19A1 P11511 1/20 0.41
SLC9A1 P19634 1/20 0.41
TRPA1 O75762 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GID4 Q8IVV7 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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 0.83 HRH3 (0.39)
SCHEMBL31406210 0.79 HTR2A (0.39) LMNAHTR2AHTR2CHTR2BMAPT
SCHEMBL757194 0.79 LMNA (0.46) LMNAHTR2AHTR2CHTR2BMAPT
SCHEMBL31406213 0.78 HTR2C (0.54) HTR2AHTR2CHTR2B
SCHEMBL31406193 0.76 SLC6A3 (0.45) KMT2ATSHR
SCHEMBL8102189 0.70 L3MBTL1 (0.47) LMNAHTR2AHTR2CHTR2BMAPT
SCHEMBL8102186 0.70 L3MBTL1 (0.47) LMNAHTR2AHTR2CHTR2BMAPT
SCHEMBL6393978 0.67 ALDH1A1 (0.50) LMNAHTR2BMAPTALDH1A1HPGD
SCHEMBL318343 0.67 HTR2C (0.51) HTR2AHTR2CHTR2BSLC9A1DDB1
SCHEMBL765244 0.67 HTR2C (0.51) HTR2AHTR2CHTR2BSLC9A1DDB1

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