SCHEMBL6428930

SCHEMBL6428930

CCC(CC)Oc1nc(C)nc(Nc2c(C)cc(C)nc2C)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5843931 0.88 CRHR1 (0.38) CRHR1
SCHEMBL5843954 0.81 CRHR1 (0.41) CRHR1MEN1LMNAMAPTKMT2A
SCHEMBL5845230 0.81 CRHR1 (0.37) CRHR1
SCHEMBL27312762 0.81 MAPT (0.33) CRHR1MEN1LMNAMAPTKMT2A
SCHEMBL5845410 0.79 MAPT (0.36) CRHR1MEN1LMNAMAPTKMT2A
SCHEMBL27315800 0.78 MAPT (0.31) CRHR1MAPT
SCHEMBL5845130 0.75 CRHR1 (0.46) CRHR1
SCHEMBL5844265 0.72 CRHR1 (0.42) CRHR1
SCHEMBL27584910 0.69 CYP19A1 (0.38) CRHR1LMNAMAPTKMT2A
SCHEMBL5843758 0.69 LMNA (0.43) CRHR1LMNA

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-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
US-5962479-A Corticotropin releasing factor antagonists PFIZER INC. (US) 1999-10-05 US disclosed