SCHEMBL6877327

SCHEMBL6877327

COc1cc(CN(C[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)C(=O)O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.35
ADRA2A P08913 2/20 0.35
EHMT2 Q96KQ7 11/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6877335 1.00 MCHR1 (0.35) MCHR1ADRA2AEHMT2KDM4EALDH1A1
SCHEMBL6875886 0.83 MCHR1 (0.42) MCHR1ADRA2AHTTSMN1; SMN2
SCHEMBL6875896 0.83 MCHR1 (0.42) MCHR1ADRA2AHTTSMN1; SMN2
SCHEMBL6875905 0.83 MCHR1 (0.42) MCHR1ADRA2AHTTSMN1; SMN2
SCHEMBL6877509 0.82 MCHR1 (0.40) MCHR1ADRA2AEHMT2KDM4EALDH1A1
SCHEMBL6874734 0.81 LMNA (0.36) MCHR1KDM4EALDH1A1TDP1HTT
SCHEMBL6874724 0.81 LMNA (0.36) MCHR1KDM4EALDH1A1TDP1HTT
SCHEMBL6866914 0.79 HDAC1 (0.42) MCHR1ADRA2A
SCHEMBL6866911 0.79 HDAC1 (0.42) MCHR1ADRA2A
SCHEMBL6876528 0.78 MCHR1 (0.49) MCHR1ADRA2ATDP1

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