SCHEMBL4748236

SCHEMBL4748236

COc1cccc(C2CCN(CCNCc3nc(C4(c5ccc(Cl)cc5)CCC4)no3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
DRD4 P21917 2/20 0.42
MCHR1 Q99705 2/20 0.38
NPY1R P25929 1/20 0.37
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
THRB P10828 1/20 0.36
CHRM4 P08173 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 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
SCHEMBL4746791 0.91 KMT2A (0.51) DRD2ALDH1A1MEN1KMT2ADRD4
SCHEMBL4747161 0.91 ALDH1A1 (0.46) DRD2ALDH1A1MEN1KMT2ADRD4
SCHEMBL4747652 0.87 KMT2A (0.52) DRD2ALDH1A1MEN1KMT2ADRD4
SCHEMBL4744996 0.86 DRD2 (0.46) DRD2ALDH1A1MEN1KMT2ADRD4
SCHEMBL4748754 0.86 MEN1 (0.45) DRD2ALDH1A1MEN1KMT2ADRD4
SCHEMBL4744655 0.85 DRD2 (0.46) DRD2ALDH1A1MEN1KMT2ADRD4
SCHEMBL4744808 0.85 DRD2 (0.45) DRD2ALDH1A1MEN1KMT2ADRD4
SCHEMBL4746781 0.84 MEN1 (0.46) DRD2ALDH1A1MEN1KMT2ADRD4
SCHEMBL4745089 0.84 DRD2 (0.45) DRD2ALDH1A1MEN1KMT2ADRD4
Hydrochloric Acid SCHEMBL4744993 0.84 DRD2 (0.44) DRD2ALDH1A1MEN1KMT2ADRD4

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