SCHEMBL8224009

SCHEMBL8224009

FC(F)(F)c1ccc(C2(c3noc(CN4CCN(c5ccc(C(F)(F)F)cn5)CC4)n3)CCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR7 P34969 1/20 0.46
DRD4 P21917 1/20 0.45
GRM2 Q14416 1/20 0.45
MAPT P10636 1/20 0.43
ALOX5AP P20292 3/20 0.42
PARP1 P09874 1/20 0.41
CXCR3 P49682 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SMO Q99835 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39

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
SCHEMBL8221394 0.95 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL8220785 0.94 DRD4 (0.48) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL4575368 0.94 KMT2A (0.47) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL8220527 0.93 HTR7 (0.47) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL8221639 0.93 KMT2A (0.54) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL8221642 0.93 DRD4 (0.48) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL8221246 0.92 KMT2A (0.56) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL8213356 0.92 HTR7 (0.48) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL4575198 0.92 LMNA (0.46) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL4575074 0.91 KMT2A (0.51) KMT2AMEN1ALDH1A1HTTLMNA

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