SCHEMBL29814853

SCHEMBL29814853

CCCCSc1c(OC)cc(CCNC(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CTSK P43235 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ DRD2 P14416 3/20 0.39
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL27002043 0.84 USP2 (0.43) LMNAKMT2ACNR2CA1CA2
SCHEMBL29814900 0.83 KMT2A (0.43) MEN1LMNATSHRKMT2AHTT
SCHEMBL29279529 0.82 LMNA (0.43) MEN1LMNATSHRKMT2AHTT
SCHEMBL31432851 0.75 CA12 (0.64) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL903446 0.75 CA12 (0.64) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL23684682 0.75 CACNA1H (0.42) MEN1KMT2ACA1CA2DRD2
SCHEMBL14823576 0.74 MAPK1 (0.41) CA1CA2HTTDRD2
SCHEMBL69181 0.73 MTNR1A (0.59) LMNATSHRCA1CA2
SCHEMBL29998779 0.73 MTNR1A (0.59) LMNATSHRCA1CA2
SCHEMBL29814777 0.73 NQO2 (0.48) DRD2

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
EP-4305019-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME Gilgamesh Pharmaceuticals, Inc. (US) 2024-01-17 — — EP disclosed
WO-2022192781-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME GILGAMESH PHARMACEUTICALS, INC. (US) 2022-09-15 — — WO disclosed
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