SCHEMBL9095646

SCHEMBL9095646

Cc1csc(-c2ccc3c(c2)c(C2=CCN(C(=O)OC(C)(C)C)CC2)cn3Cc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.48
▸ PDK4 Q16654 1/20 0.46
▸ BTK Q06187 1/20 0.44
▸ GRM5 P41594 5/20 0.44
▸ GRM1 Q13255 5/20 0.44
▸ GPR119 Q8TDV5 4/20 0.44
▸ WNT3A P56704 1/20 0.41
▸ SCN9A Q15858 1/20 0.40
▸ TNK2 Q07912 1/20 0.40
▸ ACKR3 P25106 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

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
SCHEMBL9094675 0.85 HTR6 (0.69) HTR6PDK4BTKGRM5GRM1
SCHEMBL9094668 0.77 HTR6 (0.62) HTR6
SCHEMBL9094823 0.74 PDK4 (0.51) HTR6PDK4BTKGRM5GRM1
SCHEMBL9095527 0.73 CNR1 (0.46) HTR6PDK4BTKGRM5GRM1
SCHEMBL8026743 0.72 HTR6 (0.67) HTR6PDK4GRM5GRM1SCN9A
SCHEMBL6133133 0.72 HTR6 (0.51) HTR6PDK4BTKGRM5GRM1
SCHEMBL9094666 0.71 CNR1 (0.49) HTR6PDK4BTKGRM5GRM1
SCHEMBL27007663 0.71 GRM1 (0.55) HTR6PDK4BTKGRM5GRM1
SCHEMBL31198982 0.70 NAMPT (0.58) HTR6PDK4BTKGRM5GRM1
SCHEMBL20740768 0.70 HTR6 (0.43) HTR6PDK4GRM5GRM1GPR119

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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