SCHEMBL6876360

SCHEMBL6876360

CN(C)c1cc(NC2CCC(CNC(=O)CC3CCCC3)CC2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
BACE1 P56817 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NPY5R Q15761 4/20 0.42
ADRA2A P08913 2/20 0.42
HDAC6 Q9UBN7 1/20 0.41
VCP P55072 1/20 0.40
CNR1 P21554 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6876357 1.00 MCHR1 (0.47) MCHR1SMN1; SMN2KDM4ELMNAKMT2A
SCHEMBL6880147 0.89 MCHR1 (0.49) MCHR1SMN1; SMN2KDM4ELMNAKMT2A
SCHEMBL27652810 0.89 MCHR1 (0.49) MCHR1SMN1; SMN2KDM4ELMNAKMT2A
SCHEMBL6878610 0.88 MCHR1 (0.48) MCHR1SMN1; SMN2KDM4ELMNAKMT2A
SCHEMBL6878604 0.88 MCHR1 (0.48) MCHR1SMN1; SMN2KDM4ELMNAKMT2A
SCHEMBL6879386 0.88 MCHR1 (0.47) MCHR1SMN1; SMN2KDM4ELMNANPC1
SCHEMBL6879382 0.88 MCHR1 (0.47) MCHR1SMN1; SMN2KDM4ELMNANPC1
SCHEMBL6878294 0.86 KDM4E (0.48) MCHR1KDM4ENPY5RADRA2ACNR1
SCHEMBL6878289 0.86 KDM4E (0.48) MCHR1KDM4ENPY5RADRA2ACNR1
SCHEMBL6876641 0.85 MCHR1 (0.43) MCHR1SMN1; SMN2KDM4ELMNAKMT2A

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed