SCHEMBL6868405

SCHEMBL6868405

CN(C)c1cc(NC2CCC(CNC(=O)Cc3ccccc3Br)CC2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.44
NPY5R Q15761 6/20 0.43
ADRA2A P08913 5/20 0.43
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
VCP P55072 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
RAB9A P51151 1/20 0.37
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36

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
SCHEMBL6868396 1.00 MCHR1 (0.44) MCHR1NPY5RADRA2AITGB3ITGAV
SCHEMBL6867585 0.90 MCHR1 (0.45) MCHR1NPY5RADRA2AITGB3ITGAV
SCHEMBL6867592 0.90 MCHR1 (0.45) MCHR1NPY5RADRA2AITGB3ITGAV
SCHEMBL6878013 0.90 MCHR1 (0.47) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6878006 0.90 MCHR1 (0.47) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6461455 0.90 MCHR1 (0.44) MCHR1NPY5RADRA2AITGB3ITGAV
SCHEMBL6461446 0.90 MCHR1 (0.44) MCHR1NPY5RADRA2AITGB3ITGAV
SCHEMBL6879386 0.88 MCHR1 (0.47) MCHR1NPY5RADRA2AITGB3ITGAV
SCHEMBL6879382 0.88 MCHR1 (0.47) MCHR1NPY5RADRA2AITGB3ITGAV
SCHEMBL6878858 0.86 MCHR1 (0.51) MCHR1NPY5RADRA2AACACBACACA

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