SCHEMBL30711242

SCHEMBL30711242

COC(=O)c1ccc(C2CC(c3ccncc3)CCN2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ ATM Q13315 2/20 0.42
▸ HTT P42858 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GLA P06280 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ GRIN2B Q13224 1/20 0.37
▸ RAF1 P04049 1/20 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
SCHEMBL25076786 0.89 GRIN2B (0.47) KDM4EALDH1A1HSD17B10GAATSHR
SCHEMBL25076785 0.89 GRIN2B (0.47) KDM4EALDH1A1HSD17B10GAATSHR
SCHEMBL29213808 0.89 GRIN2B (0.47) KDM4EALDH1A1HSD17B10GAATSHR
SCHEMBL31465048 0.87 CHRNB2 (0.47) KDM4EALDH1A1HSD17B10GAATSHR
SCHEMBL30711227 0.87 CHRNB2 (0.47) KDM4EALDH1A1HSD17B10GAATSHR
SCHEMBL30711292 0.86 P2RY14 (0.42) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL30711225 0.85 KDM4E (0.41) KDM4EALDH1A1HSD17B10GAATSHR
SCHEMBL31465089 0.85 KDM4E (0.41) KDM4EALDH1A1HSD17B10GAATSHR
SCHEMBL30711323 0.84 MEN1 (0.41) KDM4EALDH1A1HSD17B10GAATSHR
Maleic Acid SCHEMBL29213833 0.83 GRIN2B (0.43) KDM4EALDH1A1HSD17B10GAATSHR

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
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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