SCHEMBL8377728

SCHEMBL8377728

CCC[C@H]1CC[C@H](C2CCC(CCc3ccc(C#N)c(F)c3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.43
TRPV4 Q9HBA0 1/20 0.39
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM1A O60341 9/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
AOC3 Q16853 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
AR P10275 1/20 0.35
CTSC P53634 2/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL8377734 1.00 DAO (0.43) DAOTRPV4KCNJ1KCNH2KDM1A
SCHEMBL8377162 1.00 DAO (0.43) DAOTRPV4KCNJ1KCNH2KDM1A
SCHEMBL9620686 0.96 DAO (0.42) DAOTRPV4KCNJ1KCNH2KDM1A
SCHEMBL9620691 0.96 DAO (0.42) DAOTRPV4KCNJ1KCNH2KDM1A
SCHEMBL10479635 0.95 DAO (0.41) DAOTRPV4KCNJ1KCNH2KDM1A
SCHEMBL10479639 0.95 DAO (0.41) DAOTRPV4KCNJ1KCNH2KDM1A
SCHEMBL9620771 0.93 DAO (0.41) DAOTRPV4KCNJ1KCNH2KDM1A
SCHEMBL10611720 0.92 DAO (0.40) DAOTRPV4KCNJ1KCNH2KDM1A
SCHEMBL10611717 0.92 DAO (0.40) DAOTRPV4KCNJ1KCNH2KDM1A
SCHEMBL10611585 0.92 DAO (0.43) DAOTRPV4KCNJ1KCNH2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1168659-A None JP disclosed
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
EP-0302916-B1 ELECTRO-OPTICAL DISPLAY ELEMENT MERCK PATENT GmbH (DE) 1992-04-22 EP disclosed
EP-0283490-B1 PROCESS FOR THE PRODUCTION OF ETHANE DERIVATIVES MERCK PATENT GmbH (DE) 1992-01-08 EP disclosed
WO-1991005029-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-18 WO disclosed
US-4917819-A Cyclohexane derivative and liquid crystal composition containing same CHISSO CORPORATION (JP) 1990-04-17 US disclosed
EP-0205998-B1 CYCLOHEXANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME Chisso Corporation (JP) 1990-02-28 EP disclosed
US-4877547-A Liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-10-31 US disclosed
JP-H01168659-A CYCLOHEXANE DERIVATIVE CHISSO CORP 1989-07-04 JP disclosed
EP-0302916-A1 ELECTRO-OPTICAL DISPLAY ELEMENT. MERCK PATENT GMBH (DE) 1989-02-15 EP disclosed
US-4797228-A Cyclohexane derivative and liquid crystal composition containing same CHISSO CORPORATION (JP) 1989-01-10 US disclosed
EP-0283490-A1 PROCESS FOR THE PRODUCTION OF ETHANE DERIVATIVES. MERCK PATENT GMBH (DE) 1988-09-28 EP disclosed
WO-1988006178-A1 ELECTRO-OPTICAL DISPLAY ELEMENT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-08-25 WO disclosed
WO-1988002364-A2 PROCESS FOR THE PRODUCTION OF ETHANE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-04-07 WO disclosed
EP-0258346-A1 LIQUID CRYSTAL DISPLAY ELEMENT. MERCK PATENT GMBH (DE) 1988-03-09 EP disclosed
WO-1987005317-A1 LIQUID CRYSTAL DISPLAY ELEMENT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-09-11 WO disclosed
EP-0205998-A1 Cyclohexane derivative and liquid crystal composition containing same Chisso Corporation (JP) 1986-12-30 EP disclosed