SCHEMBL25771841

SCHEMBL25771841

Cn1c(CCCCCCc2cccc(Cl)c2)c(C(=O)N2CC(C(=O)O)C2)c2cc(Cl)cnc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OXER1 Q8TDS5 10/20 0.40
▸ S1PR1 P21453 3/20 0.39
▸ S1PR5 Q9H228 2/20 0.39
▸ TACR1 P25103 1/20 0.37
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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 0.93 OXER1 (0.38) OXER1S1PR1S1PR5TACR1NAAA
SCHEMBL25771902 0.90 OXER1 (0.41) OXER1TACR1
SCHEMBL25780755 0.86 THRB (0.37) OXER1
SCHEMBL25771839 0.86 OXER1 (0.54) OXER1
SCHEMBL25780754 0.85 OXER1 (0.46) OXER1
SCHEMBL25773868 0.84 CCR5 (0.35) OXER1S1PR1S1PR5S1PR3S1PR4
SCHEMBL25780955 0.82 MGLL (0.36) OXER1TACR1GRIN1GRIN2B
SCHEMBL25778127 0.82 ADRB3 (0.36) OXER1
SCHEMBL25780753 0.80 OXER1 (0.41) OXER1NAAA
SCHEMBL25780952 0.79 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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