SCHEMBL30424

SCHEMBL30424

CC1CCC(COc2ccc(C#N)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.63
SLC6A2 P23975 4/20 0.54
SLC6A4 P31645 4/20 0.54
SLC6A3 Q01959 2/20 0.54
HRH2 P25021 2/20 0.52
HRH1 P35367 2/20 0.52
HRH3 Q9Y5N1 2/20 0.52
HTR3A P46098 1/20 0.51
KCNH2 Q12809 1/20 0.51
KDM1A O60341 3/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL20766385 0.91 SIGMAR1 (0.73) SIGMAR1SLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL13135282 0.89 HPGD (0.57) SIGMAR1HPGDTDP1
SCHEMBL17883819 0.84 SIGMAR1 (0.53) SIGMAR1SLC6A2SLC6A4SLC6A3HRH2
SCHEMBL9349447 0.84 HRH3 (0.58) SIGMAR1HRH2HRH1HRH3
SCHEMBL9592843 0.84 HRH3 (0.58) SIGMAR1HRH2HRH1HRH3
SCHEMBL25727760 0.84 SIGMAR1 (0.64) SIGMAR1SLC6A2SLC6A4SLC6A3HRH2
SCHEMBL11317277 0.83 SIGMAR1 (0.60) SIGMAR1SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL11317274 0.83 SIGMAR1 (0.60) SIGMAR1SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL9618520 0.83 SIGMAR1 (0.63) SIGMAR1SLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL14451132 0.82 HPGD (0.52) SIGMAR1KDM1AHPGDTDP1

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 4 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