SCHEMBL4700554

SCHEMBL4700554

Cc1cc(C)c(-c2cccc3c(CCCNCc4nccs4)n(C)nc23)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.34
CRHR1 P34998 5/20 0.32
PIK3CA P42336 1/20 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
SCHEMBL4757562 0.85 SMN1; SMN2 (0.39) CRHR1
SCHEMBL4702271 0.83 CRHR1 (0.39) CRHR1
SCHEMBL4701270 0.80 CHRM2 (0.39) CRHR1
SCHEMBL4698855 0.79 CRHR1 (0.44) DRD4CRHR1
SCHEMBL4702341 0.78 CRHR1 (0.40) CRHR1
Hydrochloric Acid SCHEMBL4697950 0.78 CRHR1 (0.44) CRHR1
SCHEMBL4700164 0.78 SCN8A (0.44) CRHR1
SCHEMBL4702626 0.78 HEXA (0.43)
Trifluoroacetic Acid SCHEMBL4703706 0.76 MEN1 (0.40) CRHR1
SCHEMBL6025193 0.73 CRHR1 (0.42) 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