SCHEMBL29098091

SCHEMBL29098091

O=C(O)N1CCc2ccc(OCc3ccncc3)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.51
PLG P00747 2/20 0.51
HRH3 Q9Y5N1 6/20 0.50
RXRA P19793 3/20 0.48
RXRB P28702 3/20 0.48
RXRG P48443 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL27197550 0.89 HRH3 (0.64) HRH3RXRARXRBRXRGNPC1
SCHEMBL29097925 0.86 HRH3 (0.49) F10HRH3NPC1RAB9A
SCHEMBL29097886 0.86 HRH3 (0.53) HRH3RXRARXRBRXRGNPC1
SCHEMBL29097927 0.85 MAOB (0.52) HRH3RXRARXRBRXRGNPC1
SCHEMBL29097973 0.85 HRH3 (0.55) HRH3RXRARXRBRXRGNPC1
SCHEMBL29098128 0.85 GPR119 (0.58) F10PLGHRH3
SCHEMBL30199228 0.85 GPR119 (0.58) F10PLGHRH3
SCHEMBL29097893 0.83 S1PR1 (0.53) HRH3RXRARXRBRXRGNPC1
SCHEMBL29097990 0.83 HRH3 (0.50) HRH3RXRARXRBRXRGNPC1
SCHEMBL29098045 0.81 F10 (0.52) F10PLGHRH3

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