SCHEMBL14517845

SCHEMBL14517845

CCc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(CC)nc1NC(CC)CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 1.00

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
SCHEMBL14619546 0.95 CRHR1 (0.90) CRHR1
SCHEMBL5420927 0.93 CRHR1 (0.86) CRHR1
SCHEMBL5410057 0.93 CRHR1 (0.86) CRHR1
SCHEMBL5406509 0.92 CRHR1 (1.00) CRHR1
SCHEMBL6075409 0.92 CRHR1 (1.00) CRHR1
SCHEMBL5444304 0.91 CRHR1 (0.83) CRHR1
SCHEMBL5411917 0.90 CRHR1 (0.82) CRHR1
SCHEMBL5413128 0.89 CRHR1 (1.00) CRHR1
SCHEMBL5423129 0.88 CRHR1 (0.82) CRHR1
SCHEMBL5409084 0.87 CRHR1 (0.77) 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
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed