SCHEMBL28917693

SCHEMBL28917693

COc1cccc(Cn2ccc3cc(OCCN4CCCCC4)ccc32)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MCHR1 Q99705 1/20 0.52
▸ HRH3 Q9Y5N1 3/20 0.52
▸ KMT2A Q03164 1/20 0.50
▸ ESR1 P03372 3/20 0.49
▸ ACHE P22303 2/20 0.49
▸ BACE1 P56817 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
SCHEMBL28917640 0.99 LTA4H (0.62) LTA4HKDM4EALDH1A1SMN1; SMN2MCHR1
SCHEMBL28917626 0.88 LTA4H (0.56) LTA4HMCHR1HRH3BACE1
SCHEMBL28917705 0.88 LTA4H (0.59) LTA4HKDM4EALDH1A1SMN1; SMN2MCHR1
SCHEMBL28917648 0.88 KDM4E (0.54) LTA4HKDM4EALDH1A1SMN1; SMN2MCHR1
SCHEMBL28917652 0.87 LTA4H (0.55) LTA4HKDM4EALDH1A1SMN1; SMN2MCHR1
SCHEMBL28917650 0.86 KDM4E (0.52) LTA4HKDM4EALDH1A1SMN1; SMN2MCHR1
SCHEMBL28917888 0.86 LTA4H (0.60) LTA4HKDM4EALDH1A1SMN1; SMN2MCHR1
SCHEMBL28917692 0.79 LMNA (0.47) KDM4EALDH1A1HRH3
SCHEMBL15474805 0.79 HRH3 (0.76) LTA4HKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL14970714 0.79 HRH3 (0.76) LTA4HKDM4EALDH1A1SMN1; SMN2HRH3

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-110229091-B 1, 5-disubstituted indole derivatives with leukotriene A4 hydrolase inhibition effect and application thereof 天津科技大学 2022-11-22 — — CN disclosed
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