SCHEMBL6875264

SCHEMBL6875264

CN(C)c1ccnc(N[C@H]2CC[C@@H](NCc3c[nH]c4ccccc34)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
KMT2A Q03164 1/20 0.54
OPRM1 P35372 3/20 0.53
OPRL1 P41146 3/20 0.53
MAPK8 P45983 4/20 0.50
MAPK9 P45984 4/20 0.50
HTR1A P08908 3/20 0.50
MAPK10 P53779 3/20 0.50
CDK2 P24941 4/20 0.44
CCNK O75909 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK7 P50613 2/20 0.44
CCNH P51946 2/20 0.44
MNAT1 P51948 2/20 0.44
CDK12 Q9NYV4 2/20 0.44
JUN P05412 2/20 0.44
RET P07949 1/20 0.41
ADRA2A P08913 1/20 0.40
MCHR1 Q99705 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 0.89 MAPK8 (0.49) LMNAHTTKMT2AOPRM1OPRL1
SCHEMBL6877981 0.89 MAPK8 (0.49) LMNAHTTKMT2AOPRM1OPRL1
SCHEMBL6462830 0.87 ADRA2A (0.43) LMNAHTTKMT2AOPRM1OPRL1
SCHEMBL6462237 0.87 HTT (0.52) HTTKMT2AMAPK8MAPK9HTR1A
SCHEMBL6460015 0.87 HTT (0.52) HTTKMT2AMAPK8MAPK9HTR1A
SCHEMBL6868965 0.87 ADRA2A (0.43) LMNAHTTKMT2AOPRM1OPRL1
SCHEMBL6875163 0.85 EIF2AK2 (0.46) LMNAKMT2AHTR1AALDH1A1
SCHEMBL6875158 0.85 EIF2AK2 (0.46) LMNAKMT2AHTR1AALDH1A1
SCHEMBL6867978 0.83 ADRA2A (0.42) KMT2AMAPK8MAPK9MAPK10ADRA2A
SCHEMBL6867944 0.83 ADRA2A (0.42) KMT2AMAPK8MAPK9MAPK10ADRA2A

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