SCHEMBL20204600

SCHEMBL20204600

CC(C)(C)c1cc(F)cc(CCC2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.37
MAOA P21397 1/20 0.37
CHRM3 P20309 1/20 0.33
KCNH2 Q12809 2/20 0.32
NOS1 P29475 4/20 0.32
HTR1D P28221 1/20 0.31

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
SCHEMBL20208043 0.90 TACR1 (0.34) CHRM3KCNH2
SCHEMBL13351513 0.77 GABRA1 (0.35) HTR1D
SCHEMBL22861056 0.75 NPC1 (0.40) KCNH2HTR1D
SCHEMBL22043094 0.75 MAOB (0.33) MAOBMAOA
SCHEMBL8904980 0.75 MAOB (0.36) MAOBMAOANOS1
SCHEMBL8110112 0.75 MAOB (0.36) MAOBMAOANOS1
SCHEMBL9224226 0.75 MEN1 (0.38) MAOBMAOA
SCHEMBL8110108 0.75 MAOB (0.36) MAOBMAOANOS1
SCHEMBL9224228 0.75 MEN1 (0.38) MAOBMAOA
SCHEMBL8736719 0.75 MAOB (0.36) MAOBMAOA

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
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed