SCHEMBL4785903

SCHEMBL4785903

CCCCCCCCC(=O)N[C@@H](Cc1cccc(Cc2ccncc2)c1)C(=O)NCCCCCCCCCCC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRND Q07001 7/20 0.55
▸ CHRNA1 P02708 3/20 0.55
▸ CHRNG P07510 3/20 0.55
▸ CHRNB1 P11230 3/20 0.55
▸ GRIA1 P42261 4/20 0.54
▸ PLG P00747 4/20 0.51
▸ PRSS1 P07477 2/20 0.51
▸ PRSS2 P07478 2/20 0.51
▸ PRSS3 P35030 2/20 0.51
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ PLAU P00749 1/20 0.49
▸ CTSB P07858 1/20 0.48

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
SCHEMBL4740492 1.00 CHRND (0.55) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL12148893 0.86 GRIA1 (0.66) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL14102844 0.82 EPHX2 (0.59) CHRNDGRIA1CHRNB2CHRNB4CHRNA3
SCHEMBL14102592 0.82 EPHX2 (0.59) CHRNDGRIA1CHRNB2CHRNB4CHRNA3
SCHEMBL14102642 0.82 EPHX2 (0.59) CHRNDGRIA1CHRNB2CHRNB4CHRNA3
SCHEMBL1875301 0.81 GRIA1 (0.59) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL1875305 0.81 GRIA1 (0.59) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL9519035 0.80 CHRNB2 (0.69) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL6438848 0.80 CHRNB2 (0.69) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL12324830 0.78 CHRNB2 (0.69) CHRNDCHRNA1CHRNGCHRNB1GRIA1

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-2008102127-A2 GEL FORMING COMPOUNDS PLIVA HRVATSKA D.O.O. (HR) 2008-08-28 — — WO disclosed
Send feedback