SCHEMBL6817840

SCHEMBL6817840

CCC(Nc1nccc(-c2cc(F)c(OC)cc2Cl)c1N)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.39
SOS1 Q07889 1/20 0.39
IDO1 P14902 2/20 0.36
NR1I2 O75469 1/20 0.35

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
SCHEMBL6082133 1.00 CRHR1 (0.39) CRHR1SOS1IDO1NR1I2
SCHEMBL6822466 0.89 IDO1 (0.35) CRHR1SOS1IDO1NR1I2
SCHEMBL6082902 0.89 IDO1 (0.35) CRHR1SOS1IDO1NR1I2
SCHEMBL6082536 0.89 IDO1 (0.35) IDO1
SCHEMBL6081890 0.85 SOS1 (0.39) CRHR1SOS1IDO1NR1I2
SCHEMBL6082049 0.84 SOS1 (0.38) CRHR1SOS1IDO1
SCHEMBL6082059 0.84 SOS1 (0.38) CRHR1SOS1IDO1
SCHEMBL6084266 0.83 IDO1 (0.35) SOS1IDO1
SCHEMBL6082037 0.83 CRHR1 (0.40) CRHR1IDO1NR1I2
SCHEMBL6083293 0.82 CRHR1 (0.44) 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
WO-2004031189-A1 PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-04-15 WO disclosed