SCHEMBL15043553

SCHEMBL15043553

Cc1ccc(C23CCC(C)(CC2)C(F)(F)C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.40
MAOA P21397 2/20 0.40
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 1/20 0.33
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OPRM1 P35372 1/20 0.30

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
SCHEMBL18722105 0.81 MAOB (0.45) MAOBMAOASLC6A3CHRNA1CHRNG
SCHEMBL21935248 0.70 ACHE (0.59) MAOBMAOASLC6A2SLC6A3SLC6A4
SCHEMBL3587056 0.66 MAOB (0.52) MAOBMAOASLC6A2SLC6A3SLC6A4
SCHEMBL11549695 0.66 MAOB (0.38) MAOBMAOASLC6A2SLC6A3CHRNA1
SCHEMBL8747865 0.66 OPRM1 (0.41) MAOBMAOASLC6A2SLC6A3CHRNA1
SCHEMBL8747847 0.66 MAOB (0.38) MAOBMAOASLC6A2SLC6A3SLC6A4
SCHEMBL8297045 0.64 ACHE (0.44) MAOBMAOASLC6A2SLC6A3CHRNA1
SCHEMBL27959942 0.63 MAOB (0.39) MAOBMAOASLC6A2SLC6A3SLC6A4
SCHEMBL15043554 0.63 MGAT2 (0.33) MAOBMAOASLC6A2SLC6A3SLC6A4
SCHEMBL21935244 0.62 ALDH1A1 (0.46) MAOBMAOAMEN1KMT2A

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 2 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-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed