SCHEMBL4047771

SCHEMBL4047771

CCCC(NC(=O)Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.39
CHRNA7 P36544 1/20 0.38
EPHX1 P07099 1/20 0.36
ACACB O00763 1/20 0.35
GPR132 Q9UNW8 3/20 0.35
ECE1 P42892 1/20 0.35
ELANE P08246 1/20 0.35
ADAM17 P78536 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL4045083 0.92 CTSK (0.47) CTSKCHRNA7EPHX1ELANE
SCHEMBL4043031 0.91 HTRA1 (0.37) CTSKCHRNA7ACACBGPR132
SCHEMBL4041149 0.89 ITGA4 (0.39) CTSKCHRNA7ECE1
SCHEMBL4047976 0.89 CTSK (0.43) CTSK
SCHEMBL4044586 0.89 CTSK (0.37) CTSKCHRNA7GPR132SIGMAR1
SCHEMBL4045728 0.89 CTSK (0.35) CTSKCHRNA7ACACBGPR132
SCHEMBL4049549 0.89 GPR132 (0.38) CTSKCHRNA7EPHX1GPR132ECE1
SCHEMBL4040981 0.89 CTSK (0.35) CTSKCHRNA7ACACBGPR132
SCHEMBL4040214 0.88 GPR132 (0.39) CTSKCHRNA7GPR132ECE1
SCHEMBL4044443 0.88 ALDH1A1 (0.38) CTSKACACBGPR132

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
EP-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 EP disclosed