SCHEMBL8375636

SCHEMBL8375636

CCCCCC1CCC(CCc2ccccc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
TAAR1 Q96RJ0 3/20 0.42
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
AOC3 Q16853 1/20 0.39
GRM2 Q14416 1/20 0.39
BCHE P06276 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL28027637 0.89 MAOA (0.55) MAOAMAOBTAAR1HTR2AHTR2C
SCHEMBL9406263 0.88 MAOA (0.40) MAOAMAOBHTR2AHTR2CGRM2
SCHEMBL9406269 0.88 MAOA (0.40) MAOAMAOBHTR2AHTR2CGRM2
SCHEMBL4049556 0.87 MAOA (0.62) MAOAMAOBTAAR1HTR2AHTR2C
SCHEMBL10715641 0.84 MAOA (0.51) MAOAMAOBTAAR1HTR2AHTR2C
SCHEMBL8983091 0.84 MAOA (0.38) MAOAMAOBHTR2AHTR2CGRM2
SCHEMBL8983100 0.84 MAOA (0.38) MAOAMAOBHTR2AHTR2CGRM2
SCHEMBL14433992 0.83 MAOA (0.51) MAOAMAOBTAAR1HTR2AHTR2C
SCHEMBL9251341 0.83 MEN1 (0.39) MAOAMAOBGRM2BCHEHRH3
SCHEMBL9251351 0.83 MEN1 (0.39) MAOAMAOBGRM2BCHEHRH3

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
US-5958290-A ELECTROOPTICAL APPARATUS WITH DIELECTRIC LIQUID CRYSTALS FOR RADIATION TRANSPARENT MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-09-28 US disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 US disclosed