SCHEMBL25771786

SCHEMBL25771786

Cn1c(CCCCCCc2cccc(Cl)c2)c(C(=O)N2CC[C@H](C(=O)O)C2)c2cc(Cl)cnc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OXER1 Q8TDS5 6/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ ADRB2 P07550 1/20 0.37
▸ CYP4F2 P78329 1/20 0.37
▸ CYP4A11 Q02928 1/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ S1PR1 P21453 2/20 0.36
▸ S1PR5 Q9H228 2/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ SPR P35270 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
SCHEMBL25771841 0.93 OXER1 (0.40) OXER1TACR1S1PR1S1PR5S1PR4
SCHEMBL25780755 0.91 THRB (0.37) OXER1ADRB2
SCHEMBL25773868 0.91 CCR5 (0.35) OXER1NOTUMADRB2CYP4F2CYP4A11
SCHEMBL25778127 0.89 ADRB3 (0.36) OXER1NOTUMADRB2MCL1
SCHEMBL25780955 0.89 MGLL (0.36) OXER1NOTUMTACR1MCL1
SCHEMBL25780952 0.87 OXER1 (0.51) OXER1
SCHEMBL25780884 0.87 OXER1 (0.51) OXER1
SCHEMBL25781203 0.86 MCL1 (0.39) NOTUMADRB2CYP4F2CYP4A11S1PR1
SCHEMBL25781205 0.86 CYP4F2 (0.39) NOTUMADRB2CYP4F2CYP4A11S1PR1
SCHEMBL25771902 0.85 OXER1 (0.41) OXER1CYP4F2CYP4A11TACR1

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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