SCHEMBL18127230

SCHEMBL18127230

COc1cccc(CN[C@H](CO)Cc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.57
▸ MAOB P27338 6/20 0.52
▸ SLC2A1 P11166 2/20 0.52
▸ ADRB1 P08588 2/20 0.51
▸ ADRB3 P13945 2/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL18127104 0.91 CASR (0.53) ADRB1ADRB3MEN1KMT2A
SCHEMBL23802883 0.83 ADRB1 (0.53) ADRB1ADRB3MEN1KMT2A
SCHEMBL10877683 0.83 ADRB1 (0.53) ADRB1ADRB3MEN1KMT2A
SCHEMBL23802882 0.83 ADRB1 (0.53) ADRB1ADRB3MEN1KMT2A
SCHEMBL10878607 0.83 ADRB1 (0.53) ADRB1ADRB3MEN1KMT2A
SCHEMBL18127109 0.81 CASR (0.49) BCHEMAOBMEN1KMT2A
SCHEMBL18114414 0.78 L3MBTL1 (0.52) BCHEMEN1KMT2A
SCHEMBL18114454 0.78 SMN1; SMN2 (0.47) MEN1KMT2A
SCHEMBL5271341 0.78 BCHE (0.64) BCHEMAOBSLC2A1MEN1KMT2A
SCHEMBL17923855 0.78 LTA4H (0.52) BCHEMAOBSLC2A1

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-2016160677-A1 COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2016-10-06 — — WO disclosed
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