SCHEMBL25778127

SCHEMBL25778127

Cn1c(CCCCCC(O)c2cccc(Cl)c2)c(C(=O)N2CC[C@H](C(=O)O)C2)c2cc(Cl)cnc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 2/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ OXER1 Q8TDS5 10/20 0.34
▸ MCL1 Q07820 2/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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 0.89 OXER1 (0.38) NOTUMOXER1MCL1ADRB2
SCHEMBL25780955 0.86 MGLL (0.36) NOTUMOXER1MCL1ALDH1A1
SCHEMBL25771841 0.82 OXER1 (0.40) OXER1
SCHEMBL25780755 0.81 THRB (0.37) OXER1ADRB2ALDH1A1
SCHEMBL25773868 0.81 CCR5 (0.35) NOTUMOXER1MCL1ADRB2
SCHEMBL25781205 0.80 CYP4F2 (0.39) NOTUMMCL1ADRB2ALDH1A1
SCHEMBL25781203 0.79 MCL1 (0.39) NOTUMMCL1ADRB2
SCHEMBL25771374 0.79 OXER1 (0.56) OXER1
SCHEMBL25778220 0.79 OXER1 (0.56) OXER1
SCHEMBL25778124 0.79 OXER1 (0.56) 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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