SCHEMBL4700546

SCHEMBL4700546

CCC(Cc1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C)NCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.43
NR3C1 P04150 5/20 0.33
PGR P06401 4/20 0.33
NR3C2 P08235 4/20 0.33
MCL1 Q07820 2/20 0.30

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
SCHEMBL4702339 0.83 CRHR1 (0.44) CRHR1
SCHEMBL3362854 0.81 CRHR1 (0.44) CRHR1
SCHEMBL4702341 0.79 CRHR1 (0.40) CRHR1MCL1
SCHEMBL4700544 0.77 CRHR1 (0.40) CRHR1
SCHEMBL14500905 0.75 CRHR1 (0.48) CRHR1
SCHEMBL4700539 0.74 CRHR1 (0.55) CRHR1
Hydrochloric Acid SCHEMBL4698015 0.74 CRHR1 (0.54) CRHR1
SCHEMBL4702328 0.72 CRHR1 (0.64) CRHR1
SCHEMBL6025193 0.72 CRHR1 (0.42) CRHR1
SCHEMBL4702330 0.70 CRHR1 (0.41) 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