SCHEMBL24922969

SCHEMBL24922969

CC#Cc1ccc(C#CCCCCCCCCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.50
FFAR4 Q5NUL3 3/20 0.50
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
GRM5 P41594 1/20 0.46
SIGMAR1 Q99720 4/20 0.42
MAOB P27338 2/20 0.42

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
SCHEMBL28585298 0.86 FFAR1 (0.51) FFAR1FFAR4CYP1A2GRM5SIGMAR1
SCHEMBL30104886 0.84 FFAR1 (0.48) FFAR1FFAR4GRM5SIGMAR1
SCHEMBL7504948 0.84 FFAR1 (0.61) FFAR1FFAR4GRM5SIGMAR1MAOB
SCHEMBL24925945 0.83 FFAR1 (0.47) FFAR1FFAR4GRM5SIGMAR1
SCHEMBL37703522 0.83 GRM5 (0.49) FFAR1FFAR4GRM5SIGMAR1
SCHEMBL27508668 0.81 FFAR1 (0.46) FFAR1FFAR4GRM5SIGMAR1
SCHEMBL29187194 0.81 GRM5 (0.54) FFAR1FFAR4CYP1A2GRM5SIGMAR1
SCHEMBL16010836 0.81 FFAR1 (0.55) FFAR1FFAR4GRM5MAOB
SCHEMBL28811665 0.79 SIGMAR1 (0.48) GRM5SIGMAR1MAOB
SCHEMBL21163945 0.78 FFAR1 (0.49) FFAR1FFAR4GRM5

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-4124361-A1 MACROCYCLIC LIGANDS WITH PICOLINATE GROUP(S), COMPLEXES THEREOF AND MEDICAL USES THEREOF Guerbet (FR) 2023-02-01 EP disclosed