SCHEMBL22760096

SCHEMBL22760096

O=C(O)c1c(C2CCNCC2)c2cc(F)c(Cl)cc2n1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.39
EDNRA P25101 1/20 0.37
MAPK8 P45983 4/20 0.36
MAPK9 P45984 2/20 0.35
MAPK10 P53779 2/20 0.35
HTR1A P08908 3/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
FOLH1 Q04609 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
CHRM1 P11229 1/20 0.34
KDR P35968 1/20 0.34
MAT2A P31153 1/20 0.34
HTR6 P50406 1/20 0.34
KCNH2 Q12809 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
SCHEMBL22747852 0.92 EDNRA (0.40) EDNRAMAPK8MAPK9MAPK10FOLH1
SCHEMBL22760511 0.86 MAPK8 (0.38) EDNRAMAPK8MAPK9MAPK10MALT1
SCHEMBL22760385 0.80 MAPK8 (0.49) MAPK8
SCHEMBL22760423 0.78 MAPT (0.46) MAPK8MAPK9MAPK10MAT2A
SCHEMBL22747848 0.71 MAT2A (0.44) EDNRAMAPK8MAT2A
SCHEMBL22760439 0.71 HPGD (0.47) EDNRAMAPK8MAPK9MAT2A
SCHEMBL22747870 0.70 FOLH1 (0.42) EDNRAMAPK8MAPK9FOLH1MAT2A
SCHEMBL22747899 0.69 HTR1A (0.40) RENEDNRAHTR1ASLC6A2SLC6A4
SCHEMBL27302554 0.68 MAPK8 (0.41) MAPK8MAPK9MAT2A
SCHEMBL22747914 0.66 MAPK8 (0.40) EDNRAMAPK8MAPK9FOLH1MAT2A

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
WO-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed