SCHEMBL6876857

SCHEMBL6876857

CCOc1cc(OCC)c(OCC)cc1CNCC1CCC(Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.46
ADRA2A P08913 7/20 0.46
NPY5R Q15761 4/20 0.46
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM1A O60341 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
SLC2A1 P11166 1/20 0.34
DRD2 P14416 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
SSTR5 P35346 3/20 0.34
HRH1 P35367 1/20 0.33

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
SCHEMBL6876855 1.00 MCHR1 (0.46) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6880013 0.92 MCHR1 (0.49) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6456819 0.92 MCHR1 (0.49) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6465407 0.91 MCHR1 (0.48) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6457790 0.91 MCHR1 (0.45) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6874122 0.91 MCHR1 (0.48) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6879627 0.91 MCHR1 (0.45) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6874805 0.90 MCHR1 (0.53) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6874809 0.90 MCHR1 (0.53) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6873090 0.89 MCHR1 (0.47) MCHR1ADRA2ANPY5RKDM4ELMNA

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