SCHEMBL14470632

SCHEMBL14470632

O=Cc1cc(C(F)(F)F)cnc1N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 13/20 0.48
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL18176128 0.78 POLB (0.51) SCN10APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL13107612 0.76 SCN10A (0.51) SCN10APOLB
SCHEMBL9105524 0.76 POLB (0.75) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6103100 0.76 OPRK1 (0.54) SMN1; SMN2LMNAALDH1A1MAPTNPSR1
SCHEMBL2213799 0.75 OPRK1 (0.56) LMNAALDH1A1MAPTNPSR1
SCHEMBL21906018 0.74 SCN10A (0.65) SCN10A
SCHEMBL26981241 0.73 ACACB (0.38) SCN10APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL21906069 0.72 SCN10A (0.65) SCN10A
SCHEMBL15264404 0.72 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL20576368 0.72 ALOX5AP (0.40) POLBSMN1; SMN2LMNAALDH1A1KDM4E

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-2007073934-A1 PYRIDINYL AMINE DERIVATIVES AS INHIBITORS OF CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) NOVARTIS AG (CH) 2007-07-05 WO disclosed