SCHEMBL29893256

SCHEMBL29893256

Brc1cn2ccnc2c(N2CCC3(CC2)CC3)n1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.68
PIK3R1 P27986 2/20 0.41
PIK3CA P42336 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NUDT1 P36639 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
KIF18A Q8NI77 1/20 0.30

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
SCHEMBL30753350 0.87 HTR2C (0.67) HTR2CPIK3R1PIK3CAL3MBTL1
SCHEMBL7327979 0.81 HTR2C (0.70) HTR2CPIK3R1PIK3CAL3MBTL1TSHR
SCHEMBL29893322 0.80 HTR2C (0.44) HTR2CPIK3R1PIK3CAL3MBTL1CYP3A4
SCHEMBL29894392 0.80 HTR2C (0.44) HTR2CPIK3R1PIK3CAL3MBTL1
SCHEMBL30753359 0.71 HTR2C (0.47) HTR2CPIK3R1PIK3CAL3MBTL1NUDT1
SCHEMBL27077423 0.71 HTR2C (0.37) HTR2CPIK3R1PIK3CAKIF18A
SCHEMBL31291368 0.70 HTR2C (0.56) HTR2CPIK3R1PIK3CAL3MBTL1NUDT1
SCHEMBL5477688 0.70 NUDT1 (0.55) HTR2CPIK3R1PIK3CAL3MBTL1NUDT1
SCHEMBL103894 0.69 HTR2C (0.53) HTR2CPIK3R1PIK3CAL3MBTL1NUDT1
SCHEMBL30856617 0.67 HTR2C (0.42) HTR2CPIK3R1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed