SCHEMBL6208768

SCHEMBL6208768

CCC(CC)n1ccc2c(C)nc3c(-c4c(C)cc(C)cc4C)nc(C)n3c21

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.43
DHFR P00374 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
SCHEMBL5826424 0.78 CRHR1 (0.48) CRHR1
SCHEMBL5826746 0.76 CRHR1 (0.49) CRHR1DHFR
SCHEMBL5826970 0.76 CRHR1 (0.48) CRHR1
SCHEMBL6210405 0.74 CRHR1 (0.45) CRHR1
SCHEMBL5826968 0.73 CRHR1 (0.44) CRHR1
SCHEMBL5826925 0.73 CRHR1 (0.44) CRHR1
SCHEMBL5826520 0.73 CRHR1 (0.43) CRHR1
SCHEMBL5826791 0.73 CRHR1 (0.43) CRHR1
SCHEMBL5826901 0.72 CRHR1 (0.43) CRHR1
SCHEMBL5826881 0.72 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1238979-B1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2005-03-02 EP disclosed
EP-1238979-A1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-09-11 EP disclosed