SCHEMBL27478591

SCHEMBL27478591

COC(=O)c1ccc2nc(CCl)n(CCOCC(F)(F)F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ DRD2 P14416 2/20 0.39
▸ TBXA2R P21731 2/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ TLR7 Q9NYK1 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL20280108 0.87 TLR7 (0.48) ACSS2KDM4EALDH1A1HTTDRD2
SCHEMBL29559474 0.87 TLR7 (0.48) ACSS2KDM4EALDH1A1HTTDRD2
Hydrochloric Acid SCHEMBL20266404 0.86 TLR7 (0.47) ACSS2KDM4EALDH1A1HTTDRD2
SCHEMBL27478604 0.84 MC4R (0.45) ACSS2ALDH1A1SMN1; SMN2
SCHEMBL25767043 0.83 ACSS2 (0.46) ACSS2KDM4EALDH1A1DRD2TBXA2R
SCHEMBL24265281 0.80 ACSS2 (0.49) ACSS2KDM4EALDH1A1HTTDRD2
SCHEMBL20266433 0.78 ACSS2 (0.46) ACSS2KDM4ELMNAHTTDRD2
SCHEMBL30676114 0.78 ACSS2 (0.46) ACSS2KDM4ELMNAHTTDRD2
SCHEMBL31143264 0.78 TP53 (0.50) ACSS2KDM4EALDH1A1HTTDRD2
SCHEMBL27478697 0.77 ACSS2 (0.43) ACSS2KDM4EALDH1A1LMNAHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4562006-A1 N-HETEROCYLIC GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE Carmot Therapeutics, Inc. (US) 2025-06-04 — — EP disclosed
WO-2024026338-A1 N-HETEROCYLIC GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE CARMOT THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
WO-2024026338-A1 N-HETEROCYLIC GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE CARMOT THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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