SCHEMBL7012677

SCHEMBL7012677

CCC(C)c1nc(Nc2c(C)cc(C)cc2C)cc2cnc(C)cc12

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.33
RAPGEF4 Q8WZA2 2/20 0.33
LCK P06239 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
SCHEMBL7014703 0.78 RAPGEF4 (0.40) RAPGEF4
SCHEMBL7684228 0.70 CRHR1 (0.43) CRHR1
SCHEMBL10303879 0.65 RAPGEF4 (0.64) RAPGEF4
SCHEMBL7683348 0.63 CRHR1 (0.41) CRHR1RAPGEF4
SCHEMBL23365996 0.62 NOS3 (0.42)
SCHEMBL5844792 0.62 CRHR1 (0.44) CRHR1RAPGEF4
SCHEMBL5866965 0.61 CRHR1 (0.40) CRHR1RAPGEF4LCK
SCHEMBL7013499 0.61 CRHR1 (0.44) CRHR1
SCHEMBL14360930 0.61 CRHR1 (0.44) CRHR1RAPGEF4
SCHEMBL21725470 0.61 UHRF1 (0.43) 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
EP-0920429-B1 SUBSTITUTED PYRIDO- OR PYRIMIDO-CONTAINING 6,6- OR 6,7-BICYCLIC DERIVATIVES PFIZER (US) 2003-02-19 EP disclosed