SCHEMBL6901688

SCHEMBL6901688

Cc1c(OC(=O)Nc2ccc(N3CCN(C4CCOCC4)CC3)c(Cl)c2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.46
MAPT P10636 6/20 0.44
KMT2A Q03164 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 4/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 6/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPY2R P49146 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL6897156 0.94 MAPT (0.46) MCHR1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL6901167 0.93 MCHR1 (0.44) MCHR1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL6902788 0.92 MCHR1 (0.45) MCHR1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL7059080 0.92 MCHR1 (0.43) MCHR1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL6902429 0.91 MCHR1 (0.43) MCHR1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL6901821 0.88 MCHR1 (0.44) MCHR1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL6901950 0.87 MCHR1 (0.44) MCHR1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL6052110 0.86 SMN1; SMN2 (0.50) MCHR1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL6896762 0.86 MAPT (0.44) MCHR1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL7055517 0.86 ALDH1A1 (0.41) MCHR1MAPTKMT2ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed