SCHEMBL4575368

SCHEMBL4575368

Fc1ccc(C2(c3noc(CN4CCN(c5ccc(C(F)(F)F)cn5)CC4)n3)CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HTT P42858 1/20 0.47
HTR7 P34969 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44
DRD4 P21917 1/20 0.43
GRM2 Q14416 1/20 0.43
SMO Q99835 1/20 0.42
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PARP1 P09874 1/20 0.40
CXCR3 P49682 3/20 0.39
ALOX5AP P20292 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
SCHEMBL8220527 0.99 HTR7 (0.47) KMT2AMEN1HTTHTR7ALDH1A1
SCHEMBL4575198 0.96 LMNA (0.46) KMT2AMEN1HTTHTR7ALDH1A1
SCHEMBL8224009 0.94 KMT2A (0.47) KMT2AMEN1HTTHTR7ALDH1A1
SCHEMBL8222261 0.93 LMNA (0.43) KMT2AMEN1HTTHTR7ALDH1A1
SCHEMBL8221642 0.92 DRD4 (0.48) KMT2AMEN1HTTHTR7ALDH1A1
SCHEMBL8221246 0.91 KMT2A (0.56) KMT2AMEN1HTTHTR7ALDH1A1
SCHEMBL8213356 0.91 HTR7 (0.48) KMT2AMEN1HTTHTR7ALDH1A1
SCHEMBL8221394 0.90 ALDH1A1 (0.46) KMT2AMEN1HTTHTR7ALDH1A1
SCHEMBL8220785 0.90 DRD4 (0.48) KMT2AMEN1HTTHTR7ALDH1A1
SCHEMBL4575074 0.88 KMT2A (0.51) KMT2AMEN1HTTHTR7ALDH1A1

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