SCHEMBL29098045

SCHEMBL29098045

O=C(O)N1CCc2ccc(OCc3ccccn3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.52
STS P08842 3/20 0.49
ESR1 P03372 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
LCK P06239 1/20 0.47
HCRTR2 O43614 1/20 0.46
PARP10 Q53GL7 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PLG P00747 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL29097997 0.87 CYP11B2 (0.46) F10STSESR1HRH3SMN1; SMN2
SCHEMBL30199547 0.85 NR1H2 (0.55) F10STSESR1HCRTR2HTR2A
SCHEMBL27197550 0.84 HRH3 (0.64) KDM4EHRH3SMN1; SMN2
SCHEMBL23537968 0.82 ESR1 (0.46) F10ESR1HRH3PLG
SCHEMBL29097949 0.82 HRH3 (0.43) F10HRH3PLG
SCHEMBL29098091 0.81 F10 (0.51) F10HRH3PLG
SCHEMBL23701473 0.81 HRH3 (0.42) F10ESR1HRH3PLG
SCHEMBL29097926 0.81 F10 (0.51) F10KDM4EHRH3SMN1; SMN2HPGD
SCHEMBL29097973 0.81 HRH3 (0.55) HRH3
SCHEMBL29097925 0.80 HRH3 (0.49) F10HTTLCKHRH3SMN1; SMN2

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