SCHEMBL176218

SCHEMBL176218

CC1(C(=O)O)CCC(c2nc(-c3ccc(Nc4ccc(OC(F)(F)F)cc4)cc3)no2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.45
MAPT P10636 4/20 0.44
PKM P14618 1/20 0.44
XBP1 P17861 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CHRNA7 P36544 3/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
IDH1 O75874 2/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 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
SCHEMBL176217 0.83 SCN10A (0.51) SCN10AMAPTPKMXBP1SMN1; SMN2
SCHEMBL162574 0.76 SCN10A (0.49) SCN10AMAPTPKMXBP1SMN1; SMN2
SCHEMBL162488 0.76 SCN10A (0.49) SCN10AMAPTPKMXBP1SMN1; SMN2
SCHEMBL24844551 0.73 NR1H4 (0.60) SMN1; SMN2GAALMNAHTTL3MBTL1
SCHEMBL11713855 0.70 MAPT (0.56) MAPTSMN1; SMN2ALDH1A1POLBMAPK1
SCHEMBL174317 0.69 S1PR4 (0.49) MAPTSMN1; SMN2ALDH1A1POLBGAA
SCHEMBL174328 0.69 S1PR4 (0.49) MAPTSMN1; SMN2ALDH1A1POLBGAA
SCHEMBL30730458 0.69 LMNA (0.54) SMN1; SMN2ALDH1A1MAPK1GAALMNA
SCHEMBL30730590 0.69 LMNA (0.54) SMN1; SMN2MAPK1GAALMNAHTT
SCHEMBL11716691 0.68 NPC1 (0.65) MAPTSMN1; SMN2ALDH1A1POLBMAPK1

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-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed