SCHEMBL4698043

SCHEMBL4698043

CC/C=C(/CCC)c1c2cccc(-c3cnc(N(C)C)cc3C)c2nn1C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.34
PDE2A O00408 1/20 0.31
PDE4B Q07343 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
SCHEMBL4698038 1.00 CRHR1 (0.34) CRHR1PDE2APDE4B
SCHEMBL4698044 1.00 CRHR1 (0.34) CRHR1PDE2APDE4B
Trifluoroacetic Acid SCHEMBL4697870 0.92 CRHR1 (0.33) CRHR1PDE2APDE4B
Trifluoroacetic Acid SCHEMBL4697872 0.92 CRHR1 (0.33) CRHR1PDE2APDE4B
SCHEMBL4697443 0.79 CRHR1 (0.42) CRHR1
SCHEMBL4697442 0.79 CRHR1 (0.42) CRHR1
Hydrochloric Acid SCHEMBL4698414 0.78 CRHR1 (0.42) CRHR1
Hydrochloric Acid SCHEMBL4698416 0.78 CRHR1 (0.42) CRHR1
SCHEMBL14409410 0.78 KDM4E (0.37)
SCHEMBL3363713 0.75 CRHR1 (0.43) 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 3 patents. 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
EP-1569911-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP disclosed
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed