SCHEMBL22340252

SCHEMBL22340252

CSCc1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.55
PDK4 Q16654 1/20 0.51
GRM1 Q13255 10/20 0.48
GRM5 P41594 9/20 0.48
HTR6 P50406 1/20 0.47
WNT3A P56704 1/20 0.47
CDK7 P50613 1/20 0.45
CDK13 Q14004 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
KIT P10721 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
CYP11B2 P19099 1/20 0.43
ENPP2 Q13822 2/20 0.43

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
SCHEMBL17876418 0.85 NAMPT (0.57) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL12440413 0.84 NAMPT (0.56) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL22325023 0.84 NAMPT (0.56) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL14790770 0.84 NAMPT (0.56) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL21171650 0.84 NAMPT (0.58) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL8912847 0.83 NAMPT (0.63) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL16492725 0.82 NAMPT (0.54) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL17825458 0.82 GPR119 (0.55) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL22340251 0.82 GPR119 (0.55) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL14990423 0.82 NAMPT (0.57) NAMPTPDK4GRM1GRM5HTR6

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
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 WO disclosed