SCHEMBL25780755

SCHEMBL25780755

COC(=O)[C@H]1CCN(C(=O)c2c(CCCCCCc3cccc(Cl)c3)n(C)c3ncc(Cl)cc23)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ OXER1 Q8TDS5 4/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ LTA4H P09960 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
SCHEMBL25771786 0.91 OXER1 (0.38) OXER1ADRB2
SCHEMBL25771841 0.86 OXER1 (0.40) OXER1
SCHEMBL25773868 0.83 CCR5 (0.35) OXER1ADRB2
SCHEMBL25780955 0.82 MGLL (0.36) ALDH1A1OXER1
SCHEMBL25771902 0.82 OXER1 (0.41) OXER1
SCHEMBL25781025 0.81 KMT2A (0.35) THRBSMN1; SMN2OXER1
SCHEMBL25778127 0.81 ADRB3 (0.36) ALDH1A1OXER1ADRB2
SCHEMBL25781203 0.80 MCL1 (0.39) THRBADRB2
SCHEMBL25780754 0.79 OXER1 (0.46) OXER1
SCHEMBL25780884 0.78 OXER1 (0.51) OXER1

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-2023115203-A1 OXER1 ANTAGONISTS AND USES THEREOF FAIRHAVEN PHARMACEUTICALS INC. (CA) 2023-06-29 — — WO disclosed
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