SCHEMBL6430253

SCHEMBL6430253

CCC(CC)Nc1c(C)cnc(Oc2c(C)cc(Cl)cc2C)c1N

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.42
SCN9A Q15858 6/20 0.36
SCN5A Q14524 4/20 0.36
SCN4A P35499 4/20 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
SCHEMBL6428408 0.85 CRHR1 (0.38) CRHR1SCN9ASCN5ASCN4A
SCHEMBL6430833 0.80 CRHR1 (0.52) CRHR1
SCHEMBL5842899 0.76 CRHR1 (0.62) CRHR1
SCHEMBL6393222 0.73 CRHR1 (0.44) CRHR1
SCHEMBL8344779 0.71 CRHR1 (0.47) CRHR1
SCHEMBL5600147 0.70 CRHR1 (0.81) CRHR1
SCHEMBL5843912 0.70 CRHR1 (0.55) CRHR1
SCHEMBL5845899 0.69 CRHR1 (0.40) CRHR1
SCHEMBL6428206 0.69 SCN9A (0.35) SCN9ASCN5A
SCHEMBL5844056 0.68 CRHR1 (0.62) 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
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed