SCHEMBL6877981

SCHEMBL6877981

CN(C)c1ccnc(N[C@H]2CC[C@@H](CNCc3c[nH]c4ccccc34)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.49
MAPK9 P45984 5/20 0.49
MAPK10 P53779 3/20 0.49
HTR1A P08908 4/20 0.47
CDK2 P24941 4/20 0.43
JUN P05412 3/20 0.43
NPY5R Q15761 2/20 0.43
ADRA2A P08913 1/20 0.43
MCHR1 Q99705 1/20 0.43
CCNK O75909 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK7 P50613 1/20 0.42
CCNH P51946 1/20 0.42
MNAT1 P51948 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6877984 1.00 MAPK8 (0.49) MAPK8MAPK9MAPK10HTR1ACDK2
SCHEMBL6875264 0.89 LMNA (0.54) MAPK8MAPK9MAPK10HTR1ACDK2
SCHEMBL6460185 0.88 MCHR1 (0.46) MAPK8MAPK9MAPK10HTR1ACDK2
SCHEMBL6875983 0.88 MCHR1 (0.46) MAPK8MAPK9MAPK10HTR1ACDK2
SCHEMBL6457485 0.86 EIF2AK2 (0.43) HTR1ALMNAKMT2A
SCHEMBL6462237 0.85 HTT (0.52) MAPK8MAPK9MAPK10HTR1ACDK2
SCHEMBL6460015 0.85 HTT (0.52) MAPK8MAPK9MAPK10HTR1ACDK2
SCHEMBL6868464 0.84 MCHR1 (0.44) MAPK8MAPK9MAPK10NPY5RADRA2A
SCHEMBL6463054 0.84 MCHR1 (0.44) MAPK8MAPK9MAPK10NPY5RADRA2A
SCHEMBL6874708 0.82 MCHR1 (0.42) MAPK8MAPK9MAPK10HTR1ANPY5R

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