SCHEMBL31465089

SCHEMBL31465089

COC(=O)c1ccc([C@@H]2CC(c3ncccn3)CCN2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ GAA P10253 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ HNF4A P41235 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPC1 O15118 2/20 0.37

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
SCHEMBL30711225 1.00 KDM4E (0.41) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL30711242 0.85 KDM4E (0.42) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL30711374 0.85 SLC6A7 (0.35) KDM4EALDH1A1HTTKMT2AGLA
SCHEMBL25076785 0.84 GRIN2B (0.47) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL29213808 0.84 GRIN2B (0.47) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL25076786 0.84 GRIN2B (0.47) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL30711227 0.83 CHRNB2 (0.47) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL31465048 0.83 CHRNB2 (0.47) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL31465098 0.82 KDM4E (0.38) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL30711296 0.82 ALDH1A1 (0.38) KDM4EALDH1A1GAATSHRHPGD

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-119698414-A Indole-phenyl piperidine compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2025-03-25 — — CN disclosed
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