SCHEMBL23197873

SCHEMBL23197873

CCCCC1CCC(C2CCC(CCc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
MAOA P21397 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CYP1A2 P05177 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL10718184 1.00 MAOB (0.47) MAOBMAOAHRH3CYP1A2FFAR1
SCHEMBL4803101 0.95 MAOB (0.46) MAOBMAOAFFAR1FFAR4
SCHEMBL4803080 0.95 MAOB (0.46) MAOBMAOAFFAR1FFAR4
SCHEMBL10481819 0.95 MAOB (0.46) MAOBMAOAFFAR1FFAR4
SCHEMBL4803089 0.95 MAOB (0.46) MAOBMAOAFFAR1FFAR4
SCHEMBL10718156 0.94 MAOB (0.45) MAOBMAOA
SCHEMBL10715750 0.94 MAOB (0.45) MAOBMAOA
SCHEMBL10480050 0.94 MAOB (0.49) MAOBMAOAHRH3CYP1A2FFAR1
SCHEMBL10480047 0.94 MAOB (0.49) MAOBMAOAHRH3CYP1A2FFAR1
SCHEMBL9334624 0.92 MAOB (0.41) MAOBMAOAHRH3CYP1A2

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
US-20210102122-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2021-04-08 US disclosed