SCHEMBL7723650

SCHEMBL7723650

C=C(C(=O)N(CC)CC)C(C)N

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
LMNA P02545 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
HTR1A P08908 1/20 0.31
SLC7A5 Q01650 1/20 0.31
POLB P06746 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
SCHEMBL7103828 0.81 DPP4 (0.35) DPP4SLC7A5
SCHEMBL1063165 0.75 SLC7A5 (0.35) DPP4SLC7A5
SCHEMBL11320052 0.72 HTR1A (0.32) HTR1A
SCHEMBL5438409 0.72 DPP4 (0.42) DPP4LMNAMMP1MMP2MMP3
SCHEMBL3948078 0.72 DPP4 (0.42) DPP4LMNAMMP1MMP2MMP3
SCHEMBL27617359 0.72 ABCB11 (0.31) DPP4
SCHEMBL22010133 0.69 CA12 (0.38) LMNAHTR1A
SCHEMBL21608 0.69 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8
Hydrochloric Acid SCHEMBL22189250 0.69
SCHEMBL1738956 0.69 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6398962-B1 DISSOLVING A WATER-SOLUBLE POLYMER OR PORE FORMING AGENT AND A MATRIX AGENT IN A MEDIUM THAT PROMOTES THE HYDROLYSIS OF METALORGANIC COMPOUNDS TO FORM SILICON OXIDE SHAPED BODIES; SOLIDIFICATION AND ROASTING; FLUID FLOW MERCK KGAA (DE) 2002-06-04 US disclosed
US-4784727-A FIXING, POLYMER AND SIZEING BAYER AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed