SCHEMBL8345248

SCHEMBL8345248

CCC(CC)c1nc(C)nc(Oc2c(C)cc(C)nc2C)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.34

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
SCHEMBL5844265 0.82 CRHR1 (0.42) CRHR1
SCHEMBL5844675 0.69 CRHR1 (0.50) CRHR1
SCHEMBL5845807 0.67 CRHR1 (0.68) CRHR1
SCHEMBL6428930 0.67 CRHR1 (0.34) CRHR1
SCHEMBL5843144 0.67 CRHR1 (0.69) CRHR1
SCHEMBL8033158 0.65 ALDH1A1 (0.43)
SCHEMBL5844044 0.65 CRHR1 (0.57) CRHR1
SCHEMBL8135990 0.65
Fluoride SCHEMBL27393254 0.63 ALDH1A1 (0.41)
SCHEMBL8343580 0.63 CRHR1 (0.39) 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-5962479-A Corticotropin releasing factor antagonists PFIZER INC. (US) 1999-10-05 US disclosed