SCHEMBL4745009

SCHEMBL4745009

COc1cc(C(F)(F)F)ccc1C1CCN(CCNCc2nc(C3(c4ccc(Cl)cc4)CCC3)no2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
CACNA1G O43497 2/20 0.39
DRD4 P21917 1/20 0.37
POLB P06746 1/20 0.35
HTR2A P28223 2/20 0.35
HSD11B1 P28845 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SLC6A9 P48067 1/20 0.34
GRM2 Q14416 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
TACR1 P25103 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
DRD3 P35462 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL4748180 0.94 MEN1 (0.40) MEN1KMT2AALDH1A1CACNA1GDRD4
SCHEMBL4744808 0.88 DRD2 (0.45) MEN1KMT2AALDH1A1DRD4HSD11B1
Hydrochloric Acid SCHEMBL4744993 0.87 DRD2 (0.44) MEN1KMT2AALDH1A1DRD4POLB
SCHEMBL4744996 0.86 DRD2 (0.46) MEN1KMT2AALDH1A1CACNA1GDRD4
SCHEMBL4744482 0.86 MEN1 (0.46) MEN1KMT2AALDH1A1DRD4HSD11B1
SCHEMBL4748294 0.86 KMT2A (0.49) MEN1KMT2AALDH1A1DRD4HTR2A
SCHEMBL4747163 0.85 MEN1 (0.45) MEN1KMT2AALDH1A1DRD4HSD11B1
SCHEMBL4744655 0.85 DRD2 (0.46) MEN1KMT2AALDH1A1CACNA1GDRD4
SCHEMBL4748790 0.84 DRD2 (0.46) MEN1KMT2AALDH1A1DRD4POLB
SCHEMBL4745089 0.84 DRD2 (0.45) MEN1KMT2AALDH1A1CACNA1GDRD4

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-2008117148-A1 SUBSTITUTED OXADIAZOLE ANALOGS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-10-02 WO claimed
WO-2008117148-A1 SUBSTITUTED OXADIAZOLE ANALOGS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-10-02 WO disclosed