SCHEMBL13765232

SCHEMBL13765232

O=C1c2cc(OCc3ccc4cc(F)c(Cl)cc4n3)ccc2CCc2ncccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.39
MAPK14 Q16539 4/20 0.38
MAOA P21397 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
ALOX5AP P20292 1/20 0.34
HTR2B P41595 1/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL4057661 0.93 PDE10A (0.42) PDE10AMAPK14MAOACYSLTR2CYSLTR1
SCHEMBL4052937 0.84 MAPK14 (0.40) PDE10AMAPK14MEN1KMT2ACYSLTR2
SCHEMBL14159707 0.80 PDE10A (0.39) PDE10ACYSLTR2CYSLTR1ALOX5AP
SCHEMBL13765233 0.80 PDE10A (0.39) PDE10ACYSLTR2CYSLTR1ALOX5AP
SCHEMBL4060094 0.78 CYSLTR2 (0.39) PDE10AMAPK14CYSLTR2CYSLTR1ALOX5AP
SCHEMBL7801392 0.78 MAPT (0.48) MAOAMEN1KMT2A
SCHEMBL4057651 0.77 CYSLTR2 (0.38) PDE10AMAPK14CYSLTR2CYSLTR1HTR2B
SCHEMBL4055028 0.76 MAPK14 (0.42) PDE10AMAPK14MEN1KMT2ACYSLTR2
SCHEMBL4050759 0.75 CYSLTR2 (0.39) PDE10ACYSLTR2CYSLTR1ALOX5APHTR2B
SCHEMBL4052136 0.74 CYSLTR2 (0.36) PDE10ACYSLTR2CYSLTR1ALOX5AP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed