SCHEMBL9047722

SCHEMBL9047722

CCCc1ccc(N(CC)c2nc(C)cc(C)n2)c(I)c1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.50

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
SCHEMBL9049227 0.91 CRHR1 (0.42) CRHR1
SCHEMBL7681958 0.87 CRHR1 (0.50) CRHR1
SCHEMBL9046216 0.86 CRHR1 (0.63) CRHR1
SCHEMBL7685166 0.84 CRHR1 (0.52) CRHR1
SCHEMBL9045279 0.83 CRHR1 (0.57) CRHR1
SCHEMBL9047737 0.83 CRHR1 (0.50) CRHR1
SCHEMBL9047025 0.83 CRHR1 (0.65) CRHR1
SCHEMBL9044173 0.82 CRHR1 (0.46) CRHR1
SCHEMBL9045095 0.82 CRHR1 (0.59) CRHR1
SCHEMBL7685499 0.82 CRHR1 (0.60) 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