SCHEMBL4574785

SCHEMBL4574785

Fc1ccc(C2(c3noc(CN4CCC(c5ccc(C(F)(F)F)cc5)CC4)n3)CCOCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 4/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 2/20 0.45
GLP1R P43220 3/20 0.42
GRM2 Q14416 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
MCHR1 Q99705 2/20 0.39
CTSS P25774 1/20 0.36

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
SCHEMBL8212437 0.85 MEN1 (0.63) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8222261 0.81 LMNA (0.43) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4748736 0.78 DRD2 (0.43) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4574603 0.77 KMT2A (0.53) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8214020 0.76 KMT2A (0.54) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8220164 0.76 MEN1 (0.54) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8224487 0.76 KMT2A (0.54) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8220055 0.75 KMT2A (0.59) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4575198 0.75 LMNA (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4575368 0.73 KMT2A (0.47) MEN1KMT2AALDH1A1LMNAMAPT

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