SCHEMBL4746964

SCHEMBL4746964

Cc1cccc(C2(c3noc(CNCCN4CCC(c5cccc(C(F)(F)F)c5)CC4)n3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD4 P21917 1/20 0.41
GRM2 Q14416 1/20 0.41
HTT P42858 1/20 0.41
MCHR1 Q99705 3/20 0.38
CACNA1G O43497 4/20 0.38
CHRM4 P08173 1/20 0.37
CARM1 Q86X55 2/20 0.37
PRMT6 Q96LA8 2/20 0.37
CCR2 P41597 2/20 0.36
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4748316 0.97 MEN1 (0.46) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4744777 0.93 KMT2A (0.49) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4744949 0.90 KMT2A (0.52) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4747666 0.89 DRD2 (0.46) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4747167 0.89 DRD2 (0.44) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4748342 0.89 DRD2 (0.44) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4747795 0.88 DRD2 (0.47) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4744844 0.88 DRD2 (0.45) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4813265 0.88 DRD2 (0.43) DRD2MEN1ALDH1A1KMT2ADRD4
SCHEMBL4746757 0.88 DRD2 (0.43) DRD2MEN1ALDH1A1KMT2ADRD4

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