SCHEMBL30963

SCHEMBL30963

Cc1cc(C#N)ccc1C1CCC(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.46
CYP11B1 P15538 1/20 0.46
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRND Q07001 1/20 0.41
FASN P49327 1/20 0.39
HTR6 P50406 2/20 0.37
SLC6A4 P31645 8/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
DRD2 P14416 2/20 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
SCHEMBL16954663 0.93 CYP11B2 (0.50) CYP11B2CYP11B1CHRNA1CHRNGCHRNB1
SCHEMBL14290362 0.86 CYP11B2 (0.49) CYP11B2CYP11B1CHRNA1CHRNGCHRNB1
SCHEMBL10088668 0.86 CYP11B2 (0.49) CYP11B2CYP11B1CHRNA1CHRNGCHRNB1
SCHEMBL2175583 0.83 HTR2C (0.54) CYP11B2CYP11B1CHRNA1CHRNGCHRNB1
SCHEMBL2320589 0.82 CYP11B2 (0.45) CYP11B2CYP11B1CHRNA1CHRNGCHRNB1
SCHEMBL1366189 0.82 CYP11B2 (0.48) CYP11B2CYP11B1CHRNA1CHRNGCHRNB1
SCHEMBL22019658 0.79 CHRNA1 (0.46) CYP11B2CYP11B1CHRNA1CHRNGCHRNB1
SCHEMBL11894025 0.78 CYP11B2 (0.44) CYP11B2CYP11B1CHRNA1CHRNGCHRNB1
SCHEMBL16905570 0.76 CHRNA1 (0.65) CYP11B2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL16960487 0.75 NOTUM (0.38) CYP11B2CYP11B1FASNHTR2CNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
WO-2012025182-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed
EP-2423294-A1 Switch element comprising a liquid-crystalline medium Merck Patent GmbH (DE) 2012-02-29 EP disclosed