SCHEMBL9548158

SCHEMBL9548158

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
SPHK1 Q9NYA1 8/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
S1PR3 Q99500 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
CYP1A2 P05177 1/20 0.37
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 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
SCHEMBL9548153 1.00 MAOA (0.49) MAOAMAOBSPHK1CYP3A4CYP2C8
SCHEMBL9548157 1.00 MAOA (0.49) MAOAMAOBSPHK1CYP3A4CYP2C8
SCHEMBL10718396 0.98 MAOA (0.48) MAOAMAOBSPHK1CYP3A4CYP2C8
SCHEMBL10715889 0.98 MAOA (0.48) MAOAMAOBSPHK1CYP3A4CYP2C8
SCHEMBL10717200 0.95 MAOB (0.50) MAOAMAOBSPHK1HRH3KMT2A
SCHEMBL11062065 0.95 MAOA (0.53) MAOAMAOBSPHK1CYP3A4CYP2C8
SCHEMBL11062059 0.95 MAOA (0.53) MAOAMAOBSPHK1CYP3A4CYP2C8
SCHEMBL10718077 0.93 SPHK1 (0.45) MAOAMAOBSPHK1CYP3A4ITGB3
SCHEMBL10715769 0.93 MAOA (0.42) MAOAMAOBSPHK1CYP3A4HRH3
SCHEMBL11064280 0.93 MAOA (0.51) MAOAMAOBSPHK1CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5178790-A With excellent steepness of characteristics MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1993-01-12 US disclosed
EP-0332005-B1 SUPERTWIST LIQUID-CRYSTAL DISPLAY MERCK PATENT GmbH (DE) 1992-09-09 EP disclosed
EP-0302916-B1 ELECTRO-OPTICAL DISPLAY ELEMENT MERCK PATENT GmbH (DE) 1992-04-22 EP disclosed
EP-0360851-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GmbH (DE) 1990-04-04 EP disclosed
WO-1989008691-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
EP-0332005-A1 Supertwist liquid-crystal display MERCK PATENT GmbH (DE) 1989-09-13 EP disclosed
EP-0302916-A1 ELECTRO-OPTICAL DISPLAY ELEMENT. MERCK PATENT GMBH (DE) 1989-02-15 EP disclosed
WO-1988006178-A1 ELECTRO-OPTICAL DISPLAY ELEMENT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-08-25 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