SCHEMBL6875335

SCHEMBL6875335

CN(C)c1cc(NC2CCC(CNCCc3ccc(Br)cc3)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.46
ADRA2A P08913 11/20 0.44
NPY5R Q15761 8/20 0.44
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APP P05067 3/20 0.39
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NAPEPLD Q6IQ20 1/20 0.35

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
SCHEMBL6875330 1.00 MCHR1 (0.46) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6874885 0.89 MCHR1 (0.45) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6874879 0.89 MCHR1 (0.45) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6874171 0.89 MCHR1 (0.51) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6874173 0.89 MCHR1 (0.51) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6878811 0.88 MCHR1 (0.48) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6880757 0.88 MCHR1 (0.48) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6878808 0.88 MCHR1 (0.48) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6880754 0.88 MCHR1 (0.48) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6876564 0.85 MCHR1 (0.48) MCHR1ADRA2ANPY5RKDM4ELMNA

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