SCHEMBL4700167

SCHEMBL4700167

CCC(NCc1ccc(C#N)cc1)c1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.36
CNR2 P34972 1/20 0.34
KLKB1 P03952 1/20 0.33
KLK1 P06870 1/20 0.33
IDH1 O75874 1/20 0.32
VNN1 O95497 1/20 0.32
DRD2 P14416 2/20 0.32
DRD3 P35462 1/20 0.32
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
PGGT1B P53609 1/20 0.32
SCN8A Q9UQD0 1/20 0.31
NSD2 O96028 2/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 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
SCHEMBL4702277 0.89 CRHR1 (0.43) CRHR1KLKB1
SCHEMBL4702631 0.83 POLB (0.36) CRHR1
SCHEMBL4701268 0.80 CRHR1 (0.37) CRHR1
SCHEMBL4702339 0.78 CRHR1 (0.44) CRHR1
SCHEMBL4698860 0.78 CRHR1 (0.44) CRHR1
SCHEMBL4700164 0.76 SCN8A (0.44) CRHR1CNR2KLKB1KLK1SCN8A
SCHEMBL4700161 0.75 CRHR1 (0.51) CRHR1
SCHEMBL3364667 0.70 CRHR1 (0.40) CRHR1
Trifluoroacetic Acid SCHEMBL4702266 0.69 CRHR1 (0.46) CRHR1CNR2IDH1
SCHEMBL3364082 0.67 CRHR1 (0.45) CRHR1

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-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP claimed