SCHEMBL30711313

SCHEMBL30711313

COC(=O)c1ccccc1C1CC(c2cc(C)ccn2)CCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ GLA P06280 1/20 0.42
▸ PDK2 Q15119 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ BDKRB1 P46663 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ CYP46A1 Q9Y6A2 1/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HDAC3 O15379 1/20 0.34

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
SCHEMBL30711365 0.82 SLC6A4 (0.39) KDM4EPDK2PDK4MAPTHTT
SCHEMBL30711307 0.80 ALDH1A1 (0.42) KDM4EPDK2PDK4NPSR1HTT
SCHEMBL31465088 0.79 PDK2 (0.36) KDM4EPDK2PDK4BDKRB1HSD17B10
SCHEMBL31465073 0.78 PDK2 (0.35) KDM4EGLAPDK2PDK4HSD17B10
SCHEMBL31465108 0.74 HDAC3 (0.38) KDM4EPDK2PDK4HSD17B10NPSR1
SCHEMBL31465168 0.74 POLB (0.36) KDM4EPDK2PDK4HSD17B10NPSR1
SCHEMBL30933381 0.71 EPHX2 (0.38) KDM4EGLAPDK2PDK4HSD17B10
SCHEMBL4431279 0.68 HTR2C (0.55) KDM4EPDK2PDK4HSD17B10NPSR1
SCHEMBL4516849 0.68 SLC6A2 (0.44) KDM4EHSD17B10NPSR1MAPTHTT
Hydrochloric Acid SCHEMBL5729720 0.67 HTR2C (0.56) KDM4EPDK2PDK4HSD17B10NPSR1

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-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
WO-2023246677-A1 INDOLE-PHENYLPIPERIDINE COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 深圳信立泰药业股份有限公司 2023-12-28 — — WO disclosed
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