SCHEMBL29097997

SCHEMBL29097997

O=C(O)N1CCc2ccc(OCc3cccnn3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.46
HRH3 Q9Y5N1 4/20 0.43
F10 P00742 10/20 0.42
PLG P00747 2/20 0.42
STS P08842 2/20 0.40
ESR1 P03372 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
KLF5 Q13887 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL29098045 0.87 F10 (0.52) HRH3F10PLGSTSESR1
SCHEMBL30199265 0.86 NR1H2 (0.53) CYP11B2HRH3F10STSESR1
SCHEMBL30199440 0.86 NR1H2 (0.53) CYP11B2HRH3F10STSESR1
SCHEMBL29097937 0.86 NR1H2 (0.53) CYP11B2HRH3F10STSESR1
SCHEMBL29097925 0.80 HRH3 (0.49) HRH3F10NPC1POLBRAB9A
SCHEMBL27197550 0.80 HRH3 (0.64) HRH3NPC1POLBRAB9AGFER
SCHEMBL29098091 0.80 F10 (0.51) HRH3F10PLGNPC1RAB9A
SCHEMBL23537968 0.78 ESR1 (0.46) HRH3F10PLGESR1NPC1
SCHEMBL29097949 0.78 HRH3 (0.43) HRH3F10PLG
SCHEMBL23701473 0.77 HRH3 (0.42) HRH3F10PLGESR1NPC1

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
CN-115594669-A Fused ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司(CN) 2023-01-13 CN disclosed