SCHEMBL9094675

SCHEMBL9094675

Cc1csc(-c2ccc3c(c2)c(C2=CCN(C(=O)OC(C)(C)C)CC2)cn3S(=O)(=O)c2ccccc2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 7/20 0.69
▸ PDK4 Q16654 1/20 0.46
▸ GPR119 Q8TDV5 2/20 0.45
▸ BTK Q06187 1/20 0.44
▸ GRM5 P41594 2/20 0.42
▸ GRM1 Q13255 2/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ TNK2 Q07912 1/20 0.41
▸ WNT3A P56704 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39

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
SCHEMBL9095646 0.85 HTR6 (0.48) HTR6PDK4GPR119BTKGRM5
SCHEMBL3336933 0.78 HTR6 (0.62) HTR6HTR2ADRD2
SCHEMBL9094823 0.74 PDK4 (0.51) HTR6PDK4GPR119BTKGRM5
SCHEMBL18080760 0.73 HTR6 (0.64) HTR6PDK4GPR119GRM5GRM1
SCHEMBL30184635 0.71 HTR6 (0.71) HTR6PDK4GPR119GRM5GRM1
SCHEMBL9094666 0.71 CNR1 (0.49) HTR6PDK4GPR119BTKGRM5
SCHEMBL29212249 0.71 HTR6 (0.71) HTR6PDK4GPR119GRM5GRM1
SCHEMBL9095527 0.71 CNR1 (0.46) HTR6PDK4GPR119BTKGRM5
SCHEMBL22777480 0.71 HTR6 (0.60) HTR6PDK4GRM5GRM1SCN9A
SCHEMBL2800073 0.71 HTR6 (0.65) HTR6PDK4GPR119BTKGRM5

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-0571471-B1 5-HETEROYL INDOLE DERIVATIVES PFIZER (US) 1996-03-06 — — EP disclosed
US-5409941-A 5-heteroyl indole derivatives PFIZER INC. (US) 1995-04-25 — — US disclosed
WO-1992013856-A1 5-HETEROYL INDOLE DERIVATIVES PFIZER INC. (US) 1992-08-20 — — WO disclosed
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