SCHEMBL13614140

SCHEMBL13614140

CCCNCc1ccc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
KDM1A O60341 1/20 0.46
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYSLTR1 Q9Y271 3/20 0.44
GPBAR1 Q8TDU6 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYSLTR2 Q9NS75 2/20 0.44
NCF1 P14598 1/20 0.43
PDE10A Q9Y233 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
HDAC3 O15379 1/20 0.40

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
SCHEMBL30022211 0.90 GPBAR1 (0.48) MAOAMAOBKDM1AHDAC1HDAC2
SCHEMBL3269912 0.90 GPBAR1 (0.48) MAOAMAOBKDM1AHDAC1HDAC2
SCHEMBL30388584 0.89 KDM1A (0.50) MAOAMAOBKDM1AHDAC1HDAC2
SCHEMBL10616742 0.87 KDM1A (0.49) MAOAMAOBKDM1AHDAC1HDAC2
SCHEMBL28608296 0.87 GPBAR1 (0.49) MAOAMAOBKDM1AHDAC1HDAC2
SCHEMBL1039381 0.86 KDM1A (0.48) MAOAMAOBKDM1AHDAC1HDAC2
SCHEMBL24943587 0.85 HDAC1 (0.55) MAOAMAOBKDM1AHDAC1HDAC2
SCHEMBL30331437 0.85 NCF1 (0.46) MAOAMAOBKDM1AHDAC1HDAC2
SCHEMBL24197398 0.85 NCF1 (0.46) MAOAMAOBKDM1AHDAC1HDAC2
SCHEMBL10614795 0.84 HDAC1 (0.48) MAOAMAOBKDM1AHDAC1HDAC2

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-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed