SCHEMBL6877353

SCHEMBL6877353

CCCCCCCCN(C(=O)O)[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.45
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
ADRA2A P08913 9/20 0.38
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
NPY5R Q15761 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
SCHEMBL6877357 1.00 MCHR1 (0.45) MCHR1KDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL6874957 0.87 MCHR1 (0.45) MCHR1KDM4ESMN1; SMN2LMNATP53
SCHEMBL6874951 0.87 MCHR1 (0.45) MCHR1KDM4ESMN1; SMN2LMNATP53
SCHEMBL7112152 0.85 MCHR1 (0.46) MCHR1KDM4ESMN1; SMN2LMNAADRA2A
SCHEMBL7112154 0.85 MCHR1 (0.46) MCHR1KDM4ESMN1; SMN2LMNAADRA2A
SCHEMBL6877712 0.84 MCHR1 (0.45) MCHR1KDM4ESMN1; SMN2LMNAADRA2A
SCHEMBL6877704 0.84 MCHR1 (0.45) MCHR1KDM4ESMN1; SMN2LMNAADRA2A
SCHEMBL6874782 0.84 MCHR1 (0.44) MCHR1KDM4ESMN1; SMN2LMNATP53
SCHEMBL6874787 0.84 MCHR1 (0.44) MCHR1KDM4ESMN1; SMN2LMNATP53
SCHEMBL6867655 0.83 MCHR1 (0.48) MCHR1KDM4ESMN1; SMN2LMNAADRA2A

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