SCHEMBL6587232

SCHEMBL6587232

COc1ccc(C(=O)NCCN2CCCC(C(=O)N3CCc4cc(OC)c(OC)cc4C3)C2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
DRD3 P35462 2/20 0.51
DRD2 P14416 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
KDM2B Q8NHM5 1/20 0.47
ABCB1 P08183 4/20 0.46
SLC5A7 Q9GZV3 1/20 0.46
MAPK1 P28482 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45

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
Hydrochloric Acid SCHEMBL6586295 0.93 KMT2A (0.54) SIGMAR1DRD3DRD2KMT2AMEN1
SCHEMBL29773210 0.90 DRD3 (0.55) SIGMAR1DRD3DRD2KMT2AMEN1
SCHEMBL3991771 0.90 DRD3 (0.55) SIGMAR1DRD3DRD2KMT2AMEN1
SCHEMBL3991767 0.90 DRD3 (0.55) SIGMAR1DRD3DRD2KMT2AMEN1
SCHEMBL6589095 0.89 KMT2A (0.50) SIGMAR1DRD3DRD2KMT2AMEN1
Phosphoric Acid SCHEMBL3996517 0.88 DRD3 (0.53) SIGMAR1DRD3DRD2KMT2AMEN1
Phosphoric Acid SCHEMBL3996528 0.88 DRD3 (0.53) SIGMAR1DRD3DRD2KMT2AMEN1
SCHEMBL6587045 0.88 DRD4 (0.57) DRD3DRD2KMT2AMEN1KDM2B
SCHEMBL6587983 0.87 KDM4E (0.53) SIGMAR1DRD3DRD2KMT2AMEN1
Hydrochloric Acid SCHEMBL6007678 0.86 KDM4E (0.53) SIGMAR1DRD3DRD2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1186601-B1 NOVEL ISOQUINOLINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2004-03-24 EP claimed
US-6573279-B1 Drug, particularly to a novel isoquinoline derivative or its salt having an If current inhibitory effect without serious side effects such as convulsion and also to a drug, particularly a cardiac rate lowering agent, containing the ASTELLAS PHARMA INC. (JP) 2003-06-03 US claimed
EP-1186601-A1 NOVEL ISOQUINOLINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2002-03-13 EP claimed