SCHEMBL6428338

SCHEMBL6428338

CCC(CC)OCc1ccnc(Nc2c(C)cc(C)cc2C)c1C(C)(C)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CRHR1 P34998 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.31

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
SCHEMBL6430842 0.82 LMNA (0.39) LMNAGAACRHR1RAPGEF4
SCHEMBL6428343 0.74 LMNA (0.35) LMNAGAACRHR1RAPGEF4
SCHEMBL5845086 0.70 CRHR1 (0.46) CRHR1
SCHEMBL6428205 0.65 CRHR1 (0.41) CRHR1
SCHEMBL6428372 0.65 CRHR1 (0.43) CRHR1
SCHEMBL6430481 0.60 LMNA (0.39) LMNAGAACRHR1RAPGEF4
SCHEMBL5600278 0.58 CRHR1 (0.59) CRHR1
SCHEMBL7013499 0.58 CRHR1 (0.44) LMNAGAACRHR1
SCHEMBL5843491 0.58 CRHR1 (0.40) CRHR1
SCHEMBL5843094 0.58 CRHR1 (0.48) 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