SCHEMBL6953065

SCHEMBL6953065

CSc1ncc(C2=CCN(OC(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.36
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ NAMPT P43490 2/20 0.33
▸ GRM1 Q13255 11/20 0.33
▸ GRM5 P41594 10/20 0.33
▸ BTK Q06187 1/20 0.32
▸ GPR119 Q8TDV5 2/20 0.32
▸ PDK4 Q16654 1/20 0.31
▸ KIT P10721 1/20 0.31

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
SCHEMBL6953740 0.86 NAMPT (0.36) CYP11B2NAMPTGRM1GRM5BTK
SCHEMBL6042259 0.81 CYP11B2 (0.52) CYP11B2NAMPTGRM1GRM5BTK
SCHEMBL6957185 0.77 PPARG (0.44) NAMPT
SCHEMBL6953745 0.77 GRM5 (0.44) NAMPTGRM1GRM5
SCHEMBL19514111 0.74 GPR119 (0.42) NAMPTBTKGPR119
SCHEMBL6954561 0.74 GRM5 (0.49) GRM1GRM5GPR119PDK4
SCHEMBL6955999 0.73 S1PR1 (0.42) NAMPTGRM1GRM5BTK
SCHEMBL6961408 0.72 BRD4 (0.38) CYP11B2NAMPTGRM1GRM5PDK4
SCHEMBL7080902 0.71 S1PR1 (0.37) NAMPTGRM1GRM5BTKGPR119
SCHEMBL6954499 0.71 SCD5 (0.45) NAMPT

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-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 — — EP disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 — — EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 — — WO disclosed
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