SCHEMBL8771449

SCHEMBL8771449

CCCC1CCC([C@H]2CC[C@H](CCc3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CNR1 P21554 1/20 0.34
HTT P42858 1/20 0.34
RIPK1 Q13546 1/20 0.34
TLR4 O00206 1/20 0.34
DAO P14920 1/20 0.33

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
SCHEMBL4798580 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL4798556 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL4798573 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL8961286 0.95 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL8146444 0.95 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL12032041 0.94 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL10479865 0.94 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL10479867 0.94 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL9809556 0.92 MAOB (0.40) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL21581480 0.92 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799878-A1 Liquid crystal compositions and liquid crystal display elements containing same Shin-Etsu Chemical Co., Ltd. (JP) 1997-10-08 EP disclosed