SCHEMBL13586399

SCHEMBL13586399

CCOc1ccc(C2CCC(OCc3ccc(C4CCC(C(C)O)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.38
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ FFAR1 O14842 10/20 0.35
▸ ACACB O00763 5/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ SCN3A Q9NY46 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
SCHEMBL12821191 0.90 GPR119 (0.34) GPR119MAOAMAOBFFAR1ACACB
SCHEMBL12822800 0.90 GPR119 (0.35) GPR119MAOAMAOBFFAR1ACACB
SCHEMBL14766390 0.89 HTR1A (0.34) GPR119MAOAMAOB
SCHEMBL12821333 0.88 GPR119 (0.33) GPR119MAOAMAOBFFAR1ACACB
SCHEMBL12736672 0.88 GPR119 (0.35) GPR119MAOAMAOBFFAR1FFAR4
SCHEMBL10303248 0.88 MAOA (0.38) GPR119MAOAMAOBFFAR1ACACB
SCHEMBL10302634 0.88 GPR119 (0.36) GPR119MAOAMAOBFFAR1FFAR4
SCHEMBL13586397 0.87 HCRTR2 (0.35) GPR119MAOAMAOBFFAR1ACACB
SCHEMBL12823458 0.87 ACACB (0.35) GPR119MAOAMAOBACACB
SCHEMBL12736673 0.87 GPR119 (0.33) GPR119MAOAMAOB

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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
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