SCHEMBL9763831

SCHEMBL9763831

CCCCCNC(=O)NCCCCl

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.75
FAAH O00519 2/20 0.63
EPHX2 P34913 7/20 0.51
CASP2 P42575 1/20 0.50

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
SCHEMBL10645500 0.98 EPHX1 (0.79) EPHX1FAAHEPHX2CASP2
SCHEMBL6283044 0.91 EPHX1 (0.75) EPHX1FAAHEPHX2CASP2
SCHEMBL25913032 0.89 EPHX1 (0.79) EPHX1FAAHEPHX2CASP2
SCHEMBL9390 0.89 EPHX1 (0.95) EPHX1EPHX2CASP2
SCHEMBL25226893 0.86 EPHX1 (1.00) EPHX1EPHX2CASP2
SCHEMBL25275041 0.86 EPHX1 (1.00) EPHX1EPHX2CASP2
SCHEMBL25225195 0.86 EPHX1 (1.00) EPHX1EPHX2CASP2
SCHEMBL25270721 0.86 EPHX1 (1.00) EPHX1EPHX2CASP2
SCHEMBL25275055 0.86 EPHX1 (1.00) EPHX1EPHX2CASP2
SCHEMBL25277850 0.86 EPHX1 (1.00) EPHX1EPHX2CASP2

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-5010196-A Acylated hexahydropyrimidines JOHN WYETH AND BROTHERS LIMITED (GB) 1991-04-23 US disclosed
EP-0405932-A2 Substituted 1,3-Diaminopropanes JOHN WYETH & BROTHER LIMITED (GB) 1991-01-02 EP disclosed