SCHEMBL9633433

SCHEMBL9633433

CCCCCCCCCCCC(=O)NCCNC(C)CCOCC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.48
DNM1 Q05193 2/20 0.46
CASP2 P42575 1/20 0.44
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
LPAR2 Q9HBW0 3/20 0.42
LPAR1 Q92633 2/20 0.42
ENPP2 Q13822 1/20 0.42
NAAA Q02083 1/20 0.42
CNR1 P21554 1/20 0.41
EPHX2 P34913 2/20 0.41
SELP P16109 1/20 0.41

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
SCHEMBL10587622 0.86 FAAH (0.56) FAAHDNM1CASP2MEN1MAPK1
SCHEMBL9633201 0.83 NAAA (0.54) FAAHDNM1CASP2MEN1MAPK1
SCHEMBL14438830 0.81 FAAH (0.61) FAAHDNM1CASP2LPAR2LPAR1
SCHEMBL14438832 0.81 FAAH (0.61) FAAHDNM1CASP2LPAR2LPAR1
SCHEMBL14438828 0.81 FAAH (0.61) FAAHDNM1CASP2LPAR2LPAR1
SCHEMBL9634115 0.79 FAAH (0.54) FAAHDNM1CASP2LPAR2LPAR1
SCHEMBL23365838 0.78 FAAH (0.57) FAAHDNM1CASP2LPAR2LPAR1
SCHEMBL29310916 0.78 FAAH (0.57) FAAHDNM1CASP2LPAR2LPAR1
SCHEMBL19687365 0.78 CASP2 (0.62) FAAHDNM1CASP2NAAAEPHX2
SCHEMBL14466906 0.78 FAAH (0.57) FAAHDNM1CASP2LPAR2LPAR1

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