SCHEMBL28675845

SCHEMBL28675845

O=c1c2ccccc2oc2cccc(OCCCN3CCCC3)c12

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.66
HRH3 Q9Y5N1 8/20 0.59
MAOB P27338 4/20 0.59
BCHE P06276 1/20 0.59
ACHE P22303 1/20 0.59
TDP1 Q9NUW8 1/20 0.54
NMT2 O60551 1/20 0.53
NMT1 P30419 1/20 0.53
MAOA P21397 1/20 0.52
HTR2A P28223 2/20 0.52
HTR7 P34969 2/20 0.52
HTR6 P50406 2/20 0.52
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL5748656 0.94 XDH (0.58) XDHHRH3MAOBBCHEACHE
SCHEMBL5748784 0.93 XDH (0.58) XDHHRH3MAOBBCHEACHE
SCHEMBL5747713 0.91 XDH (0.55) XDHHRH3MAOBBCHEACHE
SCHEMBL5749264 0.90 TDP1 (0.59) XDHHRH3MAOBBCHEACHE
SCHEMBL5749883 0.89 XDH (0.59) XDHHRH3MAOBBCHEACHE
SCHEMBL5744863 0.87 TDP1 (0.56) XDHHRH3MAOBBCHEACHE
SCHEMBL5747870 0.83 TDP1 (0.55) XDHHRH3MAOBTDP1HTR2A
SCHEMBL5748468 0.82 TSHR (0.56) XDHHRH3MAOBBCHEACHE
SCHEMBL5746335 0.81 XDH (0.58) XDHHRH3MAOBBCHEACHE
SCHEMBL5747754 0.81 XDH (0.59) XDHHRH3MAOBBCHEACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113816936-B Mangostin derivative compound and preparation method and application thereof 广州长峰生物技术有限公司 2023-05-02 CN disclosed
CN-113816936-A Mangostin derivative compound and preparation method and application thereof 广州长峰生物技术有限公司 2021-12-21 CN disclosed