SCHEMBL12993448

SCHEMBL12993448

O[C@H]1Cc2ccc(F)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ACHE P22303 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
CA1 P00915 1/20 0.37

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
SCHEMBL3964498 1.00 SLC6A4 (0.42) SLC6A4ADRA2AADRA2BADRA2CACHE
SCHEMBL6950358 0.84 HTR1D (0.43) SLC6A4ADRA2AADRA2BADRA2CACHE
SCHEMBL6950364 0.84 HTR1D (0.43) SLC6A4ADRA2AADRA2BADRA2CACHE
SCHEMBL4621351 0.84 HTR1D (0.50) SLC6A4ADRA2AADRA2BADRA2CACHE
SCHEMBL6952592 0.84 HTR1D (0.50) SLC6A4ADRA2AADRA2BADRA2CACHE
SCHEMBL13534180 0.77 ACHE (0.48) SLC6A4ADRA2AADRA2BADRA2CACHE
SCHEMBL12633939 0.77 CA1 (0.50) SLC6A4ADRA2AADRA2BADRA2CACHE
SCHEMBL12607361 0.77 CA1 (0.50) SLC6A4ADRA2AADRA2BADRA2CACHE
SCHEMBL1240585 0.77 CA1 (0.50) SLC6A4ADRA2AADRA2BADRA2CACHE
SCHEMBL6959841 0.77 SLC6A4 (0.50) SLC6A4ADRA2AADRA2BADRA2CACHE

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
EP-2261218-A2 Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles Eisai R&D Management Co., Ltd. (JP) 2010-12-15 EP disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed