SCHEMBL30053281

SCHEMBL30053281

O=C(O)N1CCC(c2cccc(COc3ccc(Cl)cc3Cl)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 10/20 0.55
▸ HTT P42858 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HPGD P15428 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MDM2 Q00987 1/20 0.47
▸ GPR55 Q9Y2T6 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HSD11B1 P28845 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SPR P35270 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ GAA P10253 1/20 0.45

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
SCHEMBL24793021 0.87 PDE4B (0.50) MRGPRX4HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL24792598 0.87 PDE4B (0.50) MRGPRX4HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL30745369 0.87 PDE4B (0.50) MRGPRX4HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL24793022 0.87 PDE4B (0.50) MRGPRX4HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL30745421 0.87 PDE4B (0.50) MRGPRX4HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL24793334 0.76 HTR2C (0.57) MRGPRX4
SCHEMBL18585930 0.76 DRD2 (0.57) HTTALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL30745367 0.74 ALDH1A1 (0.49) MRGPRX4HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL3275707 0.72 HPGD (0.65) HTTALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL22469921 0.71 MRGPRX4 (0.71) MRGPRX4HTTALDH1A1MAPTSMN1; SMN2

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 2 patents. 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
WO-2022235717-A1 BENZIMIDAZOYL GLP-1 RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE CARMOT THERAPEUTICS, INC. (US) 2022-11-10 — — WO disclosed
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