SCHEMBL8220541

SCHEMBL8220541

Fc1ccc(C2(c3noc(CN4CCN(c5cccc(C(F)(F)F)n5)CC4)n3)CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HTR1A P08908 1/20 0.45
GRIN2B Q13224 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
DRD2 P14416 6/20 0.41
DRD3 P35462 6/20 0.41
OPRM1 P35372 5/20 0.41
CXCR3 P49682 1/20 0.38
RBP1 P09455 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL8221699 0.99 MEN1 (0.47) MEN1KMT2AHTTALDH1A1HTR1A
SCHEMBL8221632 0.93 MEN1 (0.47) MEN1KMT2AHTTALDH1A1HTR1A
SCHEMBL8213141 0.92 KMT2A (0.57) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL8225204 0.92 MEN1 (0.46) MEN1KMT2AHTTALDH1A1HTR1A
SCHEMBL8224011 0.91 MEN1 (0.45) MEN1KMT2AHTTALDH1A1HTR1A
SCHEMBL8223584 0.88 MEN1 (0.42) MEN1KMT2AHTTALDH1A1HTR1A
SCHEMBL8221694 0.88 MEN1 (0.52) MEN1KMT2AHTTALDH1A1HTR1A
SCHEMBL4574620 0.86 MEN1 (0.52) MEN1KMT2AHTTALDH1A1GRIN2B
SCHEMBL8214020 0.84 KMT2A (0.54) MEN1KMT2AHTTALDH1A1HTR1A
SCHEMBL8224487 0.83 KMT2A (0.54) MEN1KMT2AHTTALDH1A1HTR1A

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