SCHEMBL30980982

SCHEMBL30980982

COc1ccc(N2CCCOC2=O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
PDE10A Q9Y233 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
HTR2C P28335 6/20 0.43
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.38
HTR2B P41595 3/20 0.38
UGCG Q16739 1/20 0.37
ROCK2 O75116 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
MIF P14174 1/20 0.37

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
SCHEMBL8303857 0.82 TP53 (0.39) PIK3CAMTORPDE10ALMNAALDH1A1
SCHEMBL29741392 0.79 HPGD (0.63) PDE10ALMNATSHRHPGDHTR2C
SCHEMBL30980971 0.79 KDM4E (0.40) PIK3CAMTORTSHRHPGDALDH1A1
SCHEMBL8324767 0.79 HPGD (0.63) PDE10ALMNATSHRHPGDHTR2C
SCHEMBL29741382 0.78 LMNA (0.61) PDE10ALMNATSHRHPGDHTR2C
SCHEMBL30980945 0.77 POLB (0.45) LMNAMEN1ALDH1A1MAPTKMT2A
SCHEMBL17151142 0.76 PIK3CA (0.47) PIK3CAMTORPDE10ALMNAHTR2C
SCHEMBL12445267 0.75 PIK3CA (0.46) PIK3CAMTORPDE10ALMNAHTT
SCHEMBL20180817 0.75 PIK3CA (0.46) PIK3CAMTORPDE10ALMNAHTR2C
SCHEMBL15651208 0.73 PIK3CA (0.47) PIK3CAMTORPDE10ALMNATSHR

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
CN-112574189-B EP300/CBP inhibitor 海创药业股份有限公司 2024-05-31 CN disclosed