SCHEMBL6876347

SCHEMBL6876347

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)Nc3ccccc3C(C)(C)C)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 2/20 0.44
LMNA P02545 1/20 0.41
MCHR1 Q99705 13/20 0.41
ADRA2A P08913 12/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HRH1 P35367 3/20 0.39
HTR2B P41595 3/20 0.39
ADRA1A P35348 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.39
NPY5R Q15761 1/20 0.39

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
SCHEMBL6876354 1.00 P2RY1 (0.44) P2RY1LMNAMCHR1ADRA2AKDM4E
SCHEMBL6875871 0.92 EPHX2 (0.45) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875875 0.92 EPHX2 (0.45) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6461585 0.90 MCHR1 (0.42) LMNAMCHR1ADRA2AKDM4ETDP1
SCHEMBL6461580 0.90 MCHR1 (0.42) LMNAMCHR1ADRA2AKDM4ETDP1
SCHEMBL6877658 0.89 EPHX2 (0.44) LMNAMCHR1ADRA2AHRH1HTR2B
SCHEMBL6877651 0.89 EPHX2 (0.44) LMNAMCHR1ADRA2AHRH1HTR2B
SCHEMBL6464301 0.88 EPHX1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464294 0.88 EPHX1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6869037 0.87 KMT2A (0.52) MCHR1ADRA2AHRH1HTR2BADRA1A

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