SCHEMBL6880945

SCHEMBL6880945

COc1ccc(NC(=O)NC2CCC(Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.51
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
MALT1 Q9UDY8 7/20 0.48
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADRA2A P08913 2/20 0.42
MCHR1 Q99705 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6880940 1.00 IGF1R (0.51) IGF1RHTR2CHTR2BMALT1MAPT
SCHEMBL6880545 0.92 MAPT (0.54) IGF1RMAPTNPSR1ADRA2AMCHR1
SCHEMBL6880550 0.92 MAPT (0.54) IGF1RMAPTNPSR1ADRA2AMCHR1
SCHEMBL6461805 0.89 IGF1R (0.54) IGF1RMAPTLMNAADRA2AMCHR1
SCHEMBL6461800 0.89 IGF1R (0.54) IGF1RMAPTLMNAADRA2AMCHR1
SCHEMBL6467397 0.87 MAPT (0.45) MAPTLMNANPSR1ADRA2AMCHR1
SCHEMBL6467407 0.87 MAPT (0.45) MAPTLMNANPSR1ADRA2AMCHR1
SCHEMBL6874813 0.87 MAPT (0.47) MAPTNPSR1ADRA2AMCHR1NPC1
SCHEMBL6874819 0.87 MAPT (0.47) MAPTNPSR1ADRA2AMCHR1NPC1
SCHEMBL5522072 0.85 MCHR1 (0.61) IGF1RHTR2CHTR2BMALT1ADRA2A

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