SCHEMBL4747649

SCHEMBL4747649

COc1ccccc1C1CCN(CCNCc2nc(C3(c4cccc(C)c4)CCC3)no2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
ALDH1A1 P00352 1/20 0.44
DRD2 P14416 3/20 0.42
DRD4 P21917 2/20 0.42
CACNA1G O43497 1/20 0.40
GRM2 Q14416 1/20 0.38
NTSR1 P30989 3/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
OPRM1 P35372 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
SCHEMBL4744737 0.97 DRD4 (0.46) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL4748282 0.92 DRD2 (0.45) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL4748742 0.92 KMT2A (0.52) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL4747647 0.91 MEN1 (0.46) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL4744901 0.90 MEN1 (0.43) MEN1KMT2AALDH1A1DRD2GRM2
SCHEMBL4747097 0.89 MEN1 (0.46) MEN1KMT2AALDH1A1DRD2GRM2
SCHEMBL4747840 0.88 MEN1 (0.44) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL4744808 0.88 DRD2 (0.45) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL20328212 0.87 DRD2 (0.44) MEN1KMT2AALDH1A1DRD2DRD4
Hydrochloric Acid SCHEMBL4744993 0.87 DRD2 (0.44) MEN1KMT2AALDH1A1DRD2DRD4

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