SCHEMBL9047853

SCHEMBL9047853

CCCc1ccc(N(C)c2nc(C)cc(C)n2)c(Br)c1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.46
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7680278 0.88 CRHR1 (0.48) CRHR1TSHRMAPK1L3MBTL1
SCHEMBL9047025 0.84 CRHR1 (0.65) CRHR1
SCHEMBL9047531 0.79 CRHR1 (0.49) CRHR1
SCHEMBL9047577 0.79 CRHR1 (0.49) CRHR1TSHRMAPK1L3MBTL1
SCHEMBL7680765 0.79 CRHR1 (0.46) CRHR1TSHRMAPK1L3MBTL1
SCHEMBL8033081 0.79 CRHR1 (0.46) CRHR1
SCHEMBL9045274 0.78 CRHR1 (0.51) CRHR1
SCHEMBL7687483 0.77 CRHR1 (0.62) CRHR1
SCHEMBL7684604 0.76 CRHR1 (0.51) CRHR1
SCHEMBL9045452 0.76 CRHR1 (0.51) 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-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed