SCHEMBL9633440

SCHEMBL9633440

CCCCCCCCCCCC(=O)NCCNCCCCOCC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.51
FAAH O00519 4/20 0.51
DNM1 Q05193 2/20 0.49
NAAA Q02083 1/20 0.49
EPHX2 P34913 3/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC6A5 Q9Y345 2/20 0.46
LPAR1 Q92633 2/20 0.45
LPAR2 Q9HBW0 2/20 0.45
ENPP2 Q13822 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9634115 0.91 FAAH (0.54) CASP2FAAHDNM1NAAAEPHX2
SCHEMBL19687365 0.91 CASP2 (0.62) CASP2FAAHDNM1NAAAEPHX2
SCHEMBL17624918 0.89 CASP2 (0.59) CASP2FAAHDNM1NAAAEPHX2
SCHEMBL29078164 0.87 CASP2 (0.66) CASP2FAAHDNM1NAAAEPHX2
SCHEMBL29419660 0.87 CASP2 (0.66) CASP2FAAHDNM1NAAAEPHX2
SCHEMBL29379848 0.87 CASP2 (0.66) CASP2FAAHDNM1NAAAEPHX2
SCHEMBL25008201 0.86 FAAH (0.62) CASP2FAAHDNM1NAAAEPHX2
SCHEMBL14438830 0.84 FAAH (0.61) CASP2FAAHDNM1NAAAEPHX2
SCHEMBL15888712 0.84 SMN1; SMN2 (0.60) CASP2FAAHDNM1NAAAEPHX2
SCHEMBL17624903 0.84 CASP2 (0.56) CASP2FAAHDNM1NAAAEPHX2

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
US-5162315-A Topical administration of diltiazem THERAPEUTIC PATCH RESEARCH N.V. 1992-11-10 US disclosed