SCHEMBL8213141

SCHEMBL8213141

Cc1ccc(C2(c3noc(CN4CCN(c5cccc(C(F)(F)F)n5)CC4)n3)CCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
RBP1 P09455 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 4/20 0.40
OPRM1 P35372 4/20 0.40
DRD3 P35462 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CXCR3 P49682 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL8221694 0.96 MEN1 (0.52) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL8220541 0.92 MEN1 (0.47) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL8221632 0.92 MEN1 (0.47) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL8221699 0.91 MEN1 (0.47) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL8225204 0.91 MEN1 (0.46) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL8224011 0.90 MEN1 (0.45) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL8221173 0.88 KMT2A (0.62) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL8223584 0.87 MEN1 (0.42) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL8222201 0.84 KMT2A (0.65) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL8224398 0.84 MEN1 (0.56) KMT2AMEN1HTTALDH1A1MAPT

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-2008050200-A1 OXADIAZOLE COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-02 WO disclosed