Acetamide

Acetamide

SCHEMBL5783920

CC(N)=O.O=S(=O)(c1cccc(Cl)c1F)N1CCC(N2COCc3ccccc32)CC1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.42
▸ CCR1 P32246 4/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ FAAH O00519 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL5426366 0.93 HTR6 (0.47) HTR6CCR1CHRM1FAAHALDH1A1
SCHEMBL5430033 0.84 HTR6 (0.47) HTR6CCR1FAAHALDH1A1AKR1C3
SCHEMBL5783205 0.80 HTR6 (0.42) HTR6CCR1ALDH1A1KDM4ELMNA
SCHEMBL5428107 0.79 HTR6 (0.47) HTR6CCR1ALDH1A1KDM4EGAA
SCHEMBL5426162 0.79 HTR6 (0.45) HTR6CCR1ALDH1A1LMNATSHR
SCHEMBL5430491 0.78 CCR1 (0.48) HTR6CCR1AKR1C3LMNA
SCHEMBL5783917 0.77 HTR6 (0.41) HTR6CCR1CHRM1FAAHALDH1A1
SCHEMBL5421769 0.77 KMT2A (0.54) HTR6ALDH1A1LMNAGAA
SCHEMBL5429985 0.76 HTR6 (0.41) HTR6ALDH1A1LMNA
SCHEMBL3143014 0.76 HTR6 (0.71) HTR6

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-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 — — EP disclosed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 — — WO disclosed
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