SCHEMBL8380859

SCHEMBL8380859

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCc3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.49
FAAH O00519 1/20 0.42
MAOA P21397 1/20 0.42
SLC6A3 Q01959 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
CHRNA4 P43681 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
KCNH2 Q12809 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
SCHEMBL8414796 1.00 MAOB (0.49) MAOBFAAHMAOASLC6A3L3MBTL1
SCHEMBL8414794 1.00 MAOB (0.49) MAOBFAAHMAOASLC6A3L3MBTL1
SCHEMBL9133245 0.95 MAOB (0.53) MAOBFAAHMAOASLC6A3L3MBTL1
SCHEMBL10381925 0.95 MAOB (0.53) MAOBFAAHMAOASLC6A3L3MBTL1
SCHEMBL6463565 0.90 MAOB (0.43) MAOBFAAHMAOASLC6A3L3MBTL1
SCHEMBL10718118 0.90 MAOB (0.47) MAOBFAAHMAOASLC6A3L3MBTL1
SCHEMBL6463567 0.90 MAOB (0.43) MAOBFAAHMAOASLC6A3L3MBTL1
SCHEMBL7770649 0.90 MAOB (0.49) MAOBFAAHMAOASLC6A3L3MBTL1
SCHEMBL7770647 0.90 MAOB (0.49) MAOBFAAHMAOASLC6A3L3MBTL1
SCHEMBL10717111 0.90 MAOB (0.49) MAOBFAAHMAOASLC6A3L3MBTL1

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 7 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
US-5308542-A Stability, heat and electrical resistance; dielectic anisotropy MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-05-03 US disclosed
EP-0471813-A1 4,4'-DISUBSTITUTED 2',3-DIFLUORBIPHENYLS AND LIQUID CRYSTALLINE MEDIUM. MERCK PATENT GMBH (DE) 1992-02-26 EP disclosed
WO-1991013850-A1 4,4'-DISUBSTITUTED 2',3-DIFLUORBIPHENYLS AND LIQUID CRYSTALLINE MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-09-19 WO disclosed
EP-0125563-B1 BICYCLOHEXYL ETHANES MERCK PATENT GmbH (DE) 1987-05-27 EP disclosed
EP-0125563-A2 Bicyclohexyl ethanes MERCK PATENT GmbH (DE) 1984-11-21 EP disclosed