SCHEMBL8418547

SCHEMBL8418547

C=CC(=O)NN1CCC(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
TEAD1 P28347 2/20 0.31
TGM2 P21980 3/20 0.31
F13A1 P00488 2/20 0.31
TGM1 P22735 2/20 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
SCHEMBL7166090 0.80
SCHEMBL7107041 0.77 PIK3CD (0.34) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL19318588 0.75 AKR1C3 (0.35) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL19318583 0.75 AKR1C3 (0.35) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL19323525 0.75 PIK3CD (0.39) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL19323026 0.75 PIK3CD (0.39) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL5833685 0.73 TSHR (0.33)
SCHEMBL28791719 0.71 TEAD1 (0.34) TEAD1TGM2F13A1TGM1
SCHEMBL532345 0.70 PIK3CD (0.37) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL11161329 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728780-B1 Graftpolymers with emulgator properties ROEHM GMBH (DE) 1999-09-08 EP disclosed
EP-0728780-A2 Graftpolymers with emulgator properties RÖHM GMBH (DE) 1996-08-28 EP disclosed
US-4859460-A REACTING HAIR WITH REDUCING AGENT THEN POLYHALOACETYLATED POLYMER SOCIETE ANONYME DITE L'OREAL (FR) 1989-08-22 US disclosed
US-4256827-A ADDITION TERPOLYMER LATEX FUJI PHOTO FILM CO., LTD. (JP) 1981-03-17 US disclosed