SCHEMBL28917705

SCHEMBL28917705

Clc1cccc(Cn2ccc3cc(OCCN4CCCCC4)ccc32)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.59
▸ MCHR1 Q99705 2/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ HRH3 Q9Y5N1 8/20 0.51
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL28917888 0.99 LTA4H (0.60) LTA4HMCHR1KCNH2SMN1; SMN2LMNA
SCHEMBL28917626 0.90 LTA4H (0.56) LTA4HMCHR1KCNH2HRH3
SCHEMBL28917652 0.89 LTA4H (0.55) LTA4HMCHR1KCNH2SMN1; SMN2HTT
SCHEMBL28917693 0.88 LTA4H (0.61) LTA4HMCHR1SMN1; SMN2HRH3KDM4E
SCHEMBL28917648 0.88 KDM4E (0.54) LTA4HMCHR1SMN1; SMN2HRH3KDM4E
SCHEMBL28917640 0.86 LTA4H (0.62) LTA4HMCHR1SMN1; SMN2HRH3KDM4E
SCHEMBL28917650 0.86 KDM4E (0.52) LTA4HMCHR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL28917704 0.78 NR1H4 (0.44) LMNAMAPK1HRH3ALDH1A1MEN1
SCHEMBL5350619 0.78 ESR1 (0.58) KCNH2HRH3SLC6A2SLC6A4
SCHEMBL28917886 0.77 NR1H4 (0.45) LMNAMAPK1HRH3ALDH1A1

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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