SCHEMBL29097973

SCHEMBL29097973

O=C(O)N1CCc2ccc(OCc3ccc(-c4ccccc4)cc3)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.55
RXRA P19793 3/20 0.50
RXRB P28702 3/20 0.50
RXRG P48443 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP2D6 P10635 3/20 0.49
HRH1 P35367 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
SMPD1 P17405 1/20 0.48
BACE1 P56817 1/20 0.48
FFAR1 O14842 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47

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 0.93 HRH3 (0.64) HRH3RXRARXRBRXRGNPC1
SCHEMBL29097886 0.87 HRH3 (0.53) HRH3RXRARXRBRXRGNPC1
SCHEMBL30199347 0.86 NR1H2 (0.55) HRH3
SCHEMBL29098091 0.85 F10 (0.51) HRH3RXRARXRBRXRGNPC1
SCHEMBL29097990 0.84 HRH3 (0.50) HRH3RXRARXRBRXRGNPC1
SCHEMBL29097893 0.84 S1PR1 (0.53) HRH3RXRARXRBRXRGNPC1
SCHEMBL29097927 0.84 MAOB (0.52) HRH3RXRARXRBRXRGNPC1
SCHEMBL29098068 0.83 MAOB (0.51) HRH3RXRARXRBRXRGNPC1
SCHEMBL24229547 0.82 TMEM97 (0.66) HRH3HRH1
SCHEMBL29097908 0.82 NR4A2 (0.53) HRH3NPC1RAB9AL3MBTL1

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