SCHEMBL6187778

SCHEMBL6187778

CCCCOc1ccc(CN2CCC(Nc3cc(=O)oc4ccc(OCC)cc34)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.61
KCNH2 Q12809 1/20 0.55
MAOB P27338 4/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL6192543 0.93 MCHR1 (0.71) MCHR1KCNH2MAOBMEN1KMT2A
SCHEMBL6187797 0.91 MCHR1 (0.73) MCHR1KCNH2MAOBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6310011 0.86 MCHR1 (0.63) MCHR1KCNH2MAOBMEN1KMT2A
SCHEMBL6314085 0.84 MCHR1 (0.67) MCHR1KCNH2MAOBACHE
SCHEMBL6186001 0.84 MCHR1 (0.69) MCHR1KCNH2MAOBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6208356 0.84 MCHR1 (0.64) MCHR1KCNH2MAOBMEN1KMT2A
SCHEMBL6188162 0.84 MCHR1 (0.80) MCHR1KCNH2ACHE
SCHEMBL6186090 0.81 MCHR1 (0.76) MCHR1KCNH2MAOBACHE
SCHEMBL6188586 0.81 MCHR1 (0.76) MCHR1KCNH2MAOBACHE
SCHEMBL6308582 0.81 MCHR1 (0.66) MCHR1KCNH2MAOBBCHEACHE

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-1534703-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR ABBOTT LABORATORIES (US) 2005-06-01 EP disclosed
WO-2003106452-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-24 WO disclosed