SCHEMBL9353022

SCHEMBL9353022

CCCCC[C@H]1CC[C@H](C2(c3ccc(OC(F)(F)C(F)F)cc3)CCCCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.36
SLC6A3 Q01959 9/20 0.36
SLC6A2 P23975 3/20 0.36
CYP1A2 P05177 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
MOGAT2 Q3SYC2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CETP P11597 1/20 0.31
NAAA Q02083 1/20 0.31

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
SCHEMBL9353017 1.00 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2CYP1A2OPRM1
SCHEMBL4799867 0.92 CYP1A2 (0.37) SLC6A4SLC6A3SLC6A2CYP1A2GRIN1
SCHEMBL4799870 0.92 CYP1A2 (0.37) SLC6A4SLC6A3SLC6A2CYP1A2GRIN1
SCHEMBL8395944 0.90 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2CYP1A2
SCHEMBL4796508 0.85 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2CYP1A2ADORA3
SCHEMBL4796507 0.85 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2CYP1A2ADORA3
SCHEMBL9239242 0.85 ALDH1A1 (0.36) SLC6A4SLC6A3SLC6A2OPRM1OPRK1
SCHEMBL4800356 0.82 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2CYP1A2
SCHEMBL4800352 0.82 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2CYP1A2
SCHEMBL9183435 0.82 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394419-B1 MATRIX LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-09-21 EP disclosed
EP-0394419-A1 MATRIX LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1990-10-31 EP disclosed
WO-1990004623-A1 MATRIX LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-05-03 WO disclosed