SCHEMBL5312759

SCHEMBL5312759

CN1CCCC(Oc2ccc(CN3CCC(Nc4nccc5ccc(Cl)cc45)CC3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.48
KCNH2 Q12809 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HRH3 Q9Y5N1 2/20 0.46
ROCK1 Q13464 1/20 0.43

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
SCHEMBL4766834 0.83 MCHR1 (0.49) MCHR1KCNH2MEN1KMT2AHRH3
Hydrochloric Acid SCHEMBL4129888 0.83 MCHR1 (0.48) MCHR1KCNH2MEN1KMT2AHRH3
SCHEMBL5312483 0.79 MCHR1 (0.50) MCHR1KCNH2MEN1KMT2A
SCHEMBL4763144 0.75 DNMT3A (0.46) MCHR1MEN1KMT2AHRH3
SCHEMBL4724745 0.75 DNMT3A (0.44) MCHR1KCNH2MEN1KMT2AHRH3
Hydrochloric Acid SCHEMBL4118824 0.74 DNMT3A (0.45) MCHR1MEN1KMT2AHRH3
Hydrochloric Acid SCHEMBL4124308 0.74 DNMT3A (0.43) MCHR1KCNH2MEN1KMT2AHRH3
SCHEMBL5307093 0.74 L3MBTL3 (0.53) MCHR1KCNH2
SCHEMBL5307466 0.74 DNMT3A (0.62) MCHR1MEN1KMT2A
SCHEMBL4723726 0.73 ACHE (0.47) MCHR1KCNH2MEN1KMT2AHRH3

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
WO-2007042668-A1 DERIVATIVES OF 1-AMINO-ISOQUINOLINE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS IN THE TREATMENT OF A DYSFUNCTION ASSOCIATED WITH MCH RECEPTOR 1 SANOFI-AVENTIS (FR) 2007-04-19 WO claimed
WO-2007042668-A1 DERIVATIVES OF 1-AMINO-ISOQUINOLINE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS IN THE TREATMENT OF A DYSFUNCTION ASSOCIATED WITH MCH RECEPTOR 1 SANOFI-AVENTIS (FR) 2007-04-19 WO disclosed
WO-2007042668-A1 DERIVATIVES OF 1-AMINO-ISOQUINOLINE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS IN THE TREATMENT OF A DYSFUNCTION ASSOCIATED WITH MCH RECEPTOR 1 SANOFI-AVENTIS (FR) 2007-04-19 WO disclosed