SCHEMBL6874809

SCHEMBL6874809

CCOc1ccc(Br)cc1CNCC1CCC(Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.53
ADRA2A P08913 12/20 0.53
NPY5R Q15761 7/20 0.53
ALDH1A1 P00352 1/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
CCR5 P51681 1/20 0.39
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6874805 1.00 MCHR1 (0.53) MCHR1ADRA2ANPY5RALDH1A1LMNA
SCHEMBL6874559 0.92 MCHR1 (0.54) MCHR1ADRA2ANPY5RALDH1A1MEN1
SCHEMBL6874567 0.92 MCHR1 (0.54) MCHR1ADRA2ANPY5RALDH1A1MEN1
SCHEMBL6879627 0.91 MCHR1 (0.45) MCHR1ADRA2ANPY5RLMNATP53
SCHEMBL6457790 0.91 MCHR1 (0.45) MCHR1ADRA2ANPY5RLMNATP53
SCHEMBL6456819 0.91 MCHR1 (0.49) MCHR1ADRA2ANPY5RALDH1A1LMNA
SCHEMBL6880013 0.91 MCHR1 (0.49) MCHR1ADRA2ANPY5RALDH1A1LMNA
SCHEMBL6876857 0.90 MCHR1 (0.46) MCHR1ADRA2ANPY5RALDH1A1LMNA
SCHEMBL6876855 0.90 MCHR1 (0.46) MCHR1ADRA2ANPY5RALDH1A1LMNA
SCHEMBL6877003 0.88 MCHR1 (0.47) MCHR1ADRA2ANPY5RLMNAMEN1

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