SCHEMBL24328818

SCHEMBL24328818

C=C(C)C(C)CNC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.33
TSHR P16473 2/20 0.33
HIF1A Q16665 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRB1 P08588 3/20 0.31
MAPT P10636 2/20 0.31
ADRB3 P13945 2/20 0.31
MTOR P42345 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL24329196 0.75 TSHR (0.31) ADRB2TSHRHIF1AADRA1A
SCHEMBL20748818 0.69
SCHEMBL4094475 0.69
SCHEMBL789796 0.69
SCHEMBL14391626 0.69
SCHEMBL10767735 0.68 APAF1 (0.53) ADRB2TSHRHIF1AADRB1MAPT
SCHEMBL9748639 0.68 APAF1 (0.53) ADRB2TSHRHIF1AADRB1MAPT
SCHEMBL4378897 0.67
SCHEMBL1827014 0.67
SCHEMBL4381919 0.67

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-2022079639-A1 GLP-1/GIP DUAL AGONISTS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2022-04-21 WO disclosed