SCHEMBL27168908

SCHEMBL27168908

CC(C)(C)OC(=O)N1CC[C@H](c2cccc(COc3ccc(Cl)cc3Cl)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.48
▸ TRPV3 Q8NET8 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TP53 P04637 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ ANO1 Q5XXA6 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ SPR P35270 1/20 0.41
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ PRMT5 O14744 1/20 0.41

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
SCHEMBL24793341 1.00 MRGPRX4 (0.48) MRGPRX4TRPV3SMN1; SMN2TP53MAPT
SCHEMBL30745366 0.85 MRGPRX4 (0.49) MRGPRX4MAPTPOLBKMT2AMEN1
SCHEMBL29826265 0.82 CACNB4 (0.49) MRGPRX4SMN1; SMN2PDE4BCNR1FNTA
SCHEMBL30745369 0.82 PDE4B (0.50) MRGPRX4SMN1; SMN2TP53MAPTPDE4B
SCHEMBL24793022 0.82 PDE4B (0.50) MRGPRX4SMN1; SMN2TP53MAPTPDE4B
SCHEMBL30745421 0.82 PDE4B (0.50) MRGPRX4SMN1; SMN2TP53MAPTPDE4B
SCHEMBL24793021 0.82 PDE4B (0.50) MRGPRX4SMN1; SMN2TP53MAPTPDE4B
SCHEMBL24792598 0.82 PDE4B (0.50) MRGPRX4SMN1; SMN2TP53MAPTPDE4B
SCHEMBL23554565 0.80 TRPV3 (0.53) TRPV3SMN1; SMN2MAPTPDE4BPRMT5
SCHEMBL30745352 0.79 MRGPRX4 (0.48) MRGPRX4MAPTPOLBKMT2AMEN1

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
EP-4334304-A1 BENZIMIDAZOYL GLP-1 RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE Carmot Therapeutics, Inc. (US) 2024-03-13 — — EP disclosed
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