SCHEMBL4573907

SCHEMBL4573907

Fc1cc(F)c(F)c(CN2CC3CCC(C2)N3)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.36
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DPP4 P27487 1/20 0.32
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL4590115 0.81 SIGMAR1 (0.40) RIPK1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4574566 0.81 SIGMAR1 (0.40) RIPK1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL14013142 0.74 RIPK1 (0.33) RIPK1
SCHEMBL4574455 0.72 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1TDP1
SCHEMBL2022959 0.72 XIAP (0.40)
SCHEMBL5238513 0.70 BCHE (0.44) ALDH1A1
SCHEMBL4573906 0.70 RIPK1 (0.37) RIPK1DPP4FAPDPP8DPP9
SCHEMBL4590377 0.69 MLNR (0.42) RIPK1KDM4ESMN1; SMN2ALDH1A1TDP1
SCHEMBL4573863 0.69 SCN9A (0.36) RIPK1KDM4ESMN1; SMN2
SCHEMBL14013388 0.69 SCN9A (0.36) RIPK1KDM4ESMN1; SMN2

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
WO-2008134035-A1 ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
WO-2008134035-A1 ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed