SCHEMBL4574349

SCHEMBL4574349

O=C(O)N1CCN(Cc2cc(F)cc(F)c2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 7/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
MTNR1B P49286 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EEF2K O00418 1/20 0.39

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
SCHEMBL2931356 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3081900 0.78 GPR183 (0.54) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL4574384 0.77 RIPK1 (0.43) ALDH1A1
SCHEMBL4591026 0.77 RIPK1 (0.43) ALDH1A1
SCHEMBL4596716 0.77 AGTR2 (0.41) ALDH1A1
SCHEMBL4590621 0.77 AGTR2 (0.41) ALDH1A1
SCHEMBL4591030 0.77 RIPK1 (0.43) ALDH1A1
SCHEMBL27030606 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL4574185 0.75 DPP4 (0.37) ALDH1A1
SCHEMBL14013288 0.74 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAHTTKMT2A

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