SCHEMBL20406378

SCHEMBL20406378

COC(=O)CCc1ccc(Oc2ncccc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 4/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL20406605 0.87 LMNA (0.49) PDE10ATDP1MAPTL3MBTL1
SCHEMBL20406366 0.86 ALDH1A1 (0.46) TDP1ADRB2ADRB1MAPTL3MBTL1
SCHEMBL20394343 0.84 PDE10A (0.48) PDE10ATDP1ADRB2ADRB1
SCHEMBL20406254 0.80 PDE10A (0.46) PDE10AMAPTL3MBTL1
SCHEMBL20406212 0.80 PDE10A (0.43) PDE10AMAPTL3MBTL1
SCHEMBL20406369 0.78 LTA4H (0.47) PDE10AMAPTL3MBTL1
SCHEMBL13331058 0.78 PDE10A (0.56) PDE10ATDP1MAPTL3MBTL1
SCHEMBL20394385 0.77 PDE10A (0.54) PDE10AMAPT
SCHEMBL20406089 0.77 L3MBTL1 (0.49) PDE10ATDP1MAPTL3MBTL1
SCHEMBL17028531 0.77 FFAR1 (0.52) ADRB2ADRB1FFAR1FFAR4

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-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 — — EP disclosed
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