SCHEMBL6953740

SCHEMBL6953740

CSc1ccc(C2=CCN(OC(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.36
▸ CYP11B2 P19099 1/20 0.35
▸ BTK Q06187 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ ATR Q13535 1/20 0.33
▸ GRM1 Q13255 7/20 0.32
▸ GRM5 P41594 6/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ WNT3A P56704 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CDK13 Q14004 1/20 0.32
▸ CDK12 Q9NYV4 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32

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
SCHEMBL6953065 0.86 CYP11B2 (0.36) NAMPTCYP11B2BTKKITGRM1
SCHEMBL6041476 0.83 NAMPT (0.53) NAMPTCYP11B2BTKATRGRM1
SCHEMBL6957185 0.79 PPARG (0.44) NAMPTPPARGPPARA
SCHEMBL6953745 0.79 GRM5 (0.44) NAMPTGRM1GRM5
SCHEMBL6955999 0.77 S1PR1 (0.42) NAMPTBTKGRM1GRM5WNT3A
SCHEMBL19514111 0.76 GPR119 (0.42) NAMPTBTKPPARGPPARA
SCHEMBL7080902 0.75 S1PR1 (0.37) NAMPTBTKGRM1GRM5PPARG
SCHEMBL6956650 0.73 S1PR1 (0.40) NAMPTBTKGRM1GRM5PPARG
SCHEMBL6954561 0.73 GRM5 (0.49) GRM1GRM5PDK4PPARGPPARA
SCHEMBL27944985 0.73 NAMPT (0.40) NAMPTCYP11B2BTKATRPPARG

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 1 patent. 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
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