SCHEMBL4237052

SCHEMBL4237052

Cc1[nH]c2cc(-n3cnc(-c4ccc(Cl)cc4)cc3=O)ccc2c1C1CN(C)C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.35
PSD A5PKW4 5/20 0.35
MAPT P10636 1/20 0.34
KDM5B Q9UGL1 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
SCHEMBL4565591 0.72 KCNH2 (0.41) MCHR1KCNH2KDM5B
SCHEMBL13622711 0.71 MCHR1 (0.41) MCHR1KCNH2KDM5B
SCHEMBL4241013 0.69 KCNH2 (0.58) MCHR1KCNH2
SCHEMBL4374344 0.69 MCHR1 (0.39) MCHR1
SCHEMBL11559004 0.64 ALDH1A1 (0.49)
SCHEMBL15977222 0.62 MCHR1 (0.66) MCHR1
SCHEMBL13653389 0.62 GSK3B (0.39) MEN1KMT2APSDKDM5B
SCHEMBL4078373 0.60 OPRM1 (0.47) MCHR1KCNH2
SCHEMBL18870144 0.59 MCHR1 (0.66) MCHR1
SCHEMBL12059313 0.59 MCHR1 (0.68) MCHR1

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
WO-2009120655-A1 INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 WO disclosed
WO-2009120655-A1 INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 WO disclosed