SCHEMBL6877235

SCHEMBL6877235

CN(C)c1nc(N[C@H]2CC[C@@H](CNC(=O)c3cccc(I)c3)CC2)nc2c1CCCC2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.56
ADRA2A P08913 11/20 0.53
ADRA1A P35348 3/20 0.53
HTR2B P41595 3/20 0.53
HRH1 P35367 2/20 0.53
HTR1A P08908 1/20 0.49
NPY5R Q15761 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL6876332 0.90 MCHR1 (0.59) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6464603 0.90 MCHR1 (0.56) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6464596 0.90 MCHR1 (0.56) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873504 0.90 MCHR1 (0.59) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873500 0.90 MCHR1 (0.59) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878002 0.89 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878008 0.89 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6458377 0.88 MCHR1 (0.57) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6462354 0.88 MCHR1 (0.57) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876273 0.88 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1

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