SCHEMBL25720552

SCHEMBL25720552

Cc1cccc(OCc2cccc(C#N)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.59
MAOB P27338 10/20 0.59
FFAR1 O14842 2/20 0.54
FFAR4 Q5NUL3 1/20 0.54
MAOA P21397 3/20 0.54
MRGPRX4 Q96LA9 1/20 0.51
AR P10275 1/20 0.49
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
HTR6 P50406 1/20 0.48

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
SCHEMBL23235763 0.94 MAOB (0.63) GRM5MAOBFFAR1FFAR4MAOA
SCHEMBL13232461 0.88 GRM5 (0.62) GRM5MAOBFFAR1FFAR4MAOA
SCHEMBL1248693 0.85 MAOB (0.66) GRM5MAOBFFAR1FFAR4MAOA
SCHEMBL13462745 0.85 MAOB (0.55) GRM5MAOBFFAR1FFAR4MAOA
SCHEMBL15474234 0.85 MAOB (0.56) GRM5MAOBFFAR1FFAR4MAOA
SCHEMBL23235825 0.84 MAOB (0.65) GRM5MAOBFFAR1FFAR4MAOA
SCHEMBL15344203 0.84 MAOB (0.80) GRM5MAOBFFAR1MAOA
SCHEMBL1547975 0.84 MAOB (0.74) MAOBFFAR1MAOA
SCHEMBL4701103 0.83 FFAR1 (0.59) GRM5MAOBFFAR1FFAR4MAOA
SCHEMBL23541335 0.83 FFAR1 (0.51) GRM5MAOBFFAR1FFAR4

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-2023091873-A1 GRAM-NEGATIVE SPECIFIC ANTIBIOTICS SPARING EFFECT ON GUT MICROBIOME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-25 WO disclosed