SCHEMBL5734161

SCHEMBL5734161

COc1cc2c(cc1OC)C(CCc1ccc(C(F)(F)F)cc1F)NCC2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.50
BCHE P06276 1/20 0.47
GRIN2D O15399 7/20 0.47
GRIN3B O60391 7/20 0.47
GRIN1 Q05586 7/20 0.47
GRIN2A Q12879 7/20 0.47
GRIN2B Q13224 7/20 0.47
GRIN2C Q14957 7/20 0.47
GRIN3A Q8TCU5 7/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL4025117 1.00 KDM4C (0.53) KDM4CKMT2AMEN1BCHEGRIN2D
SCHEMBL5733019 0.92 KDM4C (0.51) KDM4CKMT2AMEN1BCHEGRIN2D
SCHEMBL4025950 0.92 KDM4C (0.51) KDM4CKMT2AMEN1BCHEGRIN2D
SCHEMBL4026957 0.88 KMT2A (0.48) KDM4CKMT2AMEN1BCHEGRIN2D
SCHEMBL4027009 0.88 KMT2A (0.48) KDM4CKMT2AMEN1BCHEGRIN2D
SCHEMBL5735125 0.87 KDM4C (0.64) KDM4CKMT2AMEN1BCHEGRIN2D
SCHEMBL4027156 0.87 KDM4C (0.64) KDM4CKMT2AMEN1BCHEGRIN2D
SCHEMBL4024490 0.85 KDM4C (0.55) KDM4CKMT2AMEN1BCHEGRIN2D
SCHEMBL990798 0.85 BCHE (0.57) KDM4CKMT2ABCHE
SCHEMBL1680336 0.85 BCHE (0.57) KDM4CKMT2ABCHE

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
EP-1611104-A1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-01-04 EP disclosed
WO-2004085403-A1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-10-07 WO disclosed