SCHEMBL3947735

SCHEMBL3947735

FC(F)(F)Oc1c(Cl)cccc1CBr

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
PNMT P11086 2/20 0.34
IDO1 P14902 5/20 0.34
KMT2A Q03164 2/20 0.33
P2RX7 Q99572 2/20 0.33
MGLL Q99685 1/20 0.33
NPBWR1 P48145 1/20 0.33
GRIN2B Q13224 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31

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
SCHEMBL16957160 0.82 TRPV1 (0.39) CHRM5TRPV1PNMTIDO1KMT2A
SCHEMBL8978656 0.80 KMT2A (0.38) CHRM5TRPV1KMT2AP2RX7MEN1
SCHEMBL7334130 0.79 KMT2A (0.35) PNMTIDO1KMT2AMEN1MAPT
SCHEMBL28767032 0.79 TRPV1 (0.37) CHRM5TRPV1PNMTIDO1KMT2A
SCHEMBL30423276 0.76 CASR (0.38) PNMTIDO1KMT2AP2RX7MEN1
SCHEMBL29937335 0.76 GRIA1 (0.33) CHRM5TRPV1KMT2AP2RX7MEN1
SCHEMBL10873536 0.76 GRIA1 (0.33) CHRM5TRPV1KMT2AP2RX7MEN1
SCHEMBL4904132 0.76 CASR (0.38) PNMTIDO1KMT2AP2RX7MEN1
SCHEMBL28193021 0.75 P2RX7 (0.40) P2RX7GRIN2BGRIA1CACNG8
SCHEMBL20863155 0.73 TAAR1 (0.36) PNMTIDO1P2RX7TAAR1

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-2049517-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS Novartis AG (CH) 2009-04-22 EP disclosed
WO-2008009435-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-01-24 WO disclosed