SCHEMBL6875486

SCHEMBL6875486

CC(C)c1ccccc1NC(=O)NCC1CCC(Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.41
NPY5R Q15761 4/20 0.39
ADRA2A P08913 2/20 0.39
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
SOAT1 P35610 1/20 0.36
MAPT P10636 1/20 0.35
CXCR4 P61073 1/20 0.35
S1PR1 P21453 1/20 0.35
OPRD1 P41143 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX1 P07099 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
POLB P06746 2/20 0.35
NMBR P28336 1/20 0.35
GRPR P30550 1/20 0.35
LPAR1 Q92633 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
SCHEMBL6875482 1.00 MCHR1 (0.41) MCHR1NPY5RADRA2AKDM4ESMN1; SMN2
SCHEMBL6457242 0.92 SOAT1 (0.43) MCHR1NPY5RADRA2ASOAT1NMBR
SCHEMBL6457249 0.92 SOAT1 (0.43) MCHR1NPY5RADRA2ASOAT1NMBR
SCHEMBL6867313 0.89 KDM4E (0.43) MCHR1NPY5RADRA2AKDM4ESMN1; SMN2
SCHEMBL6867311 0.89 KDM4E (0.43) MCHR1NPY5RADRA2AKDM4ESMN1; SMN2
SCHEMBL6873662 0.89 MCHR1 (0.42) MCHR1NPY5RADRA2AKDM4ESMN1; SMN2
SCHEMBL6873669 0.89 MCHR1 (0.42) MCHR1NPY5RADRA2AKDM4ESMN1; SMN2
SCHEMBL6463927 0.89 MCHR1 (0.39) MCHR1NPY5RADRA2AKDM4ESMN1; SMN2
SCHEMBL6463936 0.89 MCHR1 (0.39) MCHR1NPY5RADRA2AKDM4ESMN1; SMN2
SCHEMBL6878430 0.88 NPY5R (0.43) MCHR1NPY5RADRA2AKDM4ESMN1; SMN2

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