SCHEMBL4744737

SCHEMBL4744737

COc1ccccc1C1CCN(CCNCc2nc(C3(c4cccc(C)c4)CC3)no2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.46
DRD2 P14416 3/20 0.44
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
ALDH1A1 P00352 1/20 0.42
CACNA1G O43497 2/20 0.41
GRM2 Q14416 1/20 0.39
OPRM1 P35372 1/20 0.37
ATM Q13315 1/20 0.36
MAPK1 P28482 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
SCHEMBL4747649 0.97 MEN1 (0.44) DRD4DRD2MEN1KMT2AALDH1A1
SCHEMBL4747647 0.89 MEN1 (0.46) DRD4DRD2MEN1KMT2AALDH1A1
SCHEMBL4748282 0.89 DRD2 (0.45) DRD4DRD2MEN1KMT2AALDH1A1
SCHEMBL4744901 0.89 MEN1 (0.43) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4744798 0.88 MEN1 (0.47) DRD4DRD2MEN1KMT2AALDH1A1
SCHEMBL4748742 0.88 KMT2A (0.52) DRD4DRD2MEN1KMT2AALDH1A1
SCHEMBL4748790 0.87 DRD2 (0.46) DRD4DRD2MEN1KMT2AALDH1A1
SCHEMBL4747097 0.85 MEN1 (0.46) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4747840 0.85 MEN1 (0.44) DRD4DRD2MEN1KMT2AALDH1A1
SCHEMBL4744413 0.85 MEN1 (0.46) DRD4DRD2MEN1KMT2AALDH1A1

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