SCHEMBL25781328

SCHEMBL25781328

Cn1c(CCCCOCc2cccc(Cl)c2)c(C(=O)N2CC[C@H](c3nnn[nH]3)C2)c2cc(C(F)(F)F)cnc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ MGLL Q99685 2/20 0.31
▸ PROKR1 Q8TCW9 3/20 0.31
▸ POLB P06746 1/20 0.31
▸ SLC9A1 P19634 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30

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
SCHEMBL25772254 0.90 MRGPRX4 (0.35) MRGPRX4SMN1; SMN2MAPTLMNAGAA
SCHEMBL25772697 0.89 KMT2A (0.34) MAPTKMT2AKCNH2THRB
SCHEMBL25772194 0.86 RORC (0.38) MRGPRX4SMN1; SMN2MAPTLMNAGAA
SCHEMBL25781025 0.85 KMT2A (0.35) SMN1; SMN2MAPTLMNAKMT2ATHRB
SCHEMBL25781329 0.82 KMT2A (0.35) MAPTKMT2AKCNH2THRB
SCHEMBL25781205 0.78 CYP4F2 (0.39) MAPTLMNAKMT2AKCNH2
SCHEMBL25781416 0.76 ADRB3 (0.34) MAPTKMT2AKCNH2
SCHEMBL25777386 0.75 OXER1 (0.51) MRGPRX4
SCHEMBL25772253 0.74 RORC (0.40) MRGPRX4SMN1; SMN2MAPTLMNAGAA
SCHEMBL25772192 0.74 OXER1 (0.41) MRGPRX4SMN1; SMN2MAPTLMNAGAA

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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