SCHEMBL13700592

SCHEMBL13700592

c1ccc2c(c1)CONS2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 1/20 0.34
OXTR P30559 1/20 0.32
SIGMAR1 Q99720 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL5281409 0.65
SCHEMBL60305 0.65
SCHEMBL29700011 0.65
SCHEMBL7781679 0.64 RYR2 (0.45) RYR2OXTRMAOAMAOBHTR2C
SCHEMBL28993067 0.64 RYR2 (0.45) RYR2OXTRMAOAMAOBHTR2C
SCHEMBL4579661 0.64 RYR2 (0.45) RYR2OXTRMAOAMAOBHTR2C
SCHEMBL29861425 0.62 RYR2 (0.39) RYR2SIGMAR1MAOAMAOB
SCHEMBL219847 0.62 RYR2 (0.39) RYR2SIGMAR1MAOAMAOB
SCHEMBL7164803 0.62 RYR2 (0.44) RYR2OXTRMAOAMAOBHTR2C
SCHEMBL220767 0.62 HTR2C (0.46) RYR2MAOBHTR2C

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-2105297-A1 Planographic printing plate precursor and plate making method using the same FUJIFILM Corporation (JP) 2009-09-30 EP disclosed