SCHEMBL6877262

SCHEMBL6877262

COc1ccc(CNC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.48
MCHR1 Q99705 4/20 0.48
TUBB3 Q13509 2/20 0.44
BCHE P06276 3/20 0.42
ACHE P22303 3/20 0.42
APP P05067 3/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
NPY5R Q15761 1/20 0.39
SLC2A1 P11166 1/20 0.38
C5AR1 P21730 1/20 0.37
EHMT2 Q96KQ7 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
SCHEMBL6460350 1.00 ADRA2A (0.48) ADRA2AMCHR1TUBB3BCHEACHE
SCHEMBL6457252 0.90 ADRA2A (0.51) ADRA2AMCHR1TUBB3BCHEACHE
SCHEMBL6876322 0.87 ADRA2A (0.42) ADRA2AMCHR1TUBB3BCHEACHE
SCHEMBL6876315 0.87 ADRA2A (0.42) ADRA2AMCHR1TUBB3BCHEACHE
SCHEMBL6873525 0.86 KDM1A (0.43) ADRA2AMCHR1TUBB3BCHEACHE
SCHEMBL6873531 0.86 KDM1A (0.43) ADRA2AMCHR1TUBB3BCHEACHE
SCHEMBL6873962 0.86 ADRA2A (0.45) ADRA2AMCHR1TUBB3BCHEACHE
SCHEMBL6873966 0.86 ADRA2A (0.45) ADRA2AMCHR1TUBB3BCHEACHE
SCHEMBL6876389 0.86 MCHR1 (0.45) ADRA2AMCHR1ACHENPY5R
SCHEMBL6876384 0.86 MCHR1 (0.45) ADRA2AMCHR1ACHENPY5R

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