SCHEMBL30565982

SCHEMBL30565982

CCCN(CCC)CC(O)c1c[nH]c2ccnc(OC)c12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP51A1 Q16850 8/20 0.36
▸ LRRK2 Q5S007 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HTR1D P28221 1/20 0.30

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
SCHEMBL25248962 1.00 CYP51A1 (0.36) CYP51A1LRRK2ALDH1A1HTR1D
SCHEMBL25293290 0.91 LRRK2 (0.33) LRRK2ALDH1A1
SCHEMBL30566001 0.91 LRRK2 (0.33) LRRK2ALDH1A1
SCHEMBL30565969 0.85 LRRK2 (0.33) LRRK2
SCHEMBL25248915 0.85 LRRK2 (0.33) LRRK2
SCHEMBL25298537 0.83 LRRK2 (0.33) LRRK2
SCHEMBL30565929 0.83 LRRK2 (0.33) LRRK2
SCHEMBL25250707 0.82 LRRK2 (0.35) LRRK2
SCHEMBL30565978 0.82 LRRK2 (0.35) LRRK2
SCHEMBL25292953 0.76 HTR1D (0.45) ALDH1A1HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118974044-A Compounds of formula (I) 赛洛私人有限公司 2024-11-15 — — CN disclosed
EP-4452979-A1 COMPOUNDS Psylo Pty Ltd (AU) 2024-10-30 — — EP disclosed
WO-2023115165-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 — — WO disclosed
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