SCHEMBL14013142

SCHEMBL14013142

Fc1cc(F)c(F)c(CN2CC3CCC2CN3)c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
LMNA P02545 1/20 0.31
ROCK2 O75116 1/20 0.30

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
SCHEMBL14013943 0.89 TLR7 (0.36) CHRNB2CHRNA4
SCHEMBL14013902 0.89 TLR7 (0.36) CHRNB2CHRNA4
SCHEMBL7094788 0.75 GBA1 (0.40) CHRNB2CHRNA4
SCHEMBL4573907 0.74 RIPK1 (0.36) RIPK1
SCHEMBL27150266 0.72 KDM4E (0.43) CHRNB2CHRNA4
SCHEMBL4590891 0.72 SIGMAR1 (0.43) RIPK1
SCHEMBL10153638 0.70 SIGMAR1 (0.46) CHRNB2CHRNA4
SCHEMBL21374046 0.67 CHRNB2 (0.47) CHRNB2CHRNA4
SCHEMBL10763885 0.67 ALDH1A1 (0.43) CHRNB2CHRNA4LMNA
SCHEMBL4574098 0.67 RIPK1 (0.38) RIPK1

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