SCHEMBL5982005

SCHEMBL5982005

Cc1cc(C)c(NC(C)(C)C)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 17/20 0.55
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL14350115 0.84 HTT (0.56) RAPGEF4HTTALDH1A1
SCHEMBL19194234 0.82 POLB (0.46) RAPGEF4ALDH1A1
SCHEMBL13911907 0.78 METAP2 (0.53) RAPGEF4HTTALDH1A1
SCHEMBL13034024 0.75 RAPGEF4 (0.36) RAPGEF4HTTALDH1A1
SCHEMBL25544886 0.75 RAPGEF4 (0.44) RAPGEF4HTTALDH1A1
SCHEMBL2927138 0.74 ATM (0.43) RAPGEF4ALDH1A1
SCHEMBL502929 0.71 RAPGEF4 (1.00) RAPGEF4
SCHEMBL16564657 0.70 RAPGEF4 (0.37) RAPGEF4HTTALDH1A1
SCHEMBL6575628 0.70 RAPGEF4 (0.42) RAPGEF4HTTALDH1A1
SCHEMBL246412 0.69 RAPGEF4 (0.63) RAPGEF4ALDH1A1

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
EP-1656355-A2 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP disclosed
WO-2005061467-A2 PIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS AMGEN INC. (US) 2005-07-07 WO disclosed