SCHEMBL4748754

SCHEMBL4748754

COc1ccc(C2(c3noc(CNCCN4CCC(c5cccc(C(F)(F)F)c5)CC4)n3)CCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
DRD2 P14416 3/20 0.44
CACNA1G O43497 3/20 0.40
DRD4 P21917 1/20 0.39
GRM2 Q14416 1/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
XBP1 P17861 1/20 0.37
BLM P54132 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
CARM1 Q86X55 2/20 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
SCHEMBL4746781 0.99 MEN1 (0.46) MEN1KMT2AALDH1A1DRD2CACNA1G
SCHEMBL4744844 0.97 DRD2 (0.45) MEN1KMT2AALDH1A1DRD2CACNA1G
SCHEMBL4744949 0.92 KMT2A (0.52) MEN1KMT2AALDH1A1DRD2CACNA1G
SCHEMBL4744996 0.90 DRD2 (0.46) MEN1KMT2AALDH1A1DRD2CACNA1G
SCHEMBL4747666 0.90 DRD2 (0.46) MEN1KMT2AALDH1A1DRD2CACNA1G
SCHEMBL4744655 0.89 DRD2 (0.46) MEN1KMT2AALDH1A1DRD2CACNA1G
SCHEMBL4744777 0.89 KMT2A (0.49) MEN1KMT2AALDH1A1DRD2CACNA1G
SCHEMBL4748316 0.88 MEN1 (0.46) MEN1KMT2AALDH1A1DRD2CACNA1G
SCHEMBL4745089 0.88 DRD2 (0.45) MEN1KMT2AALDH1A1DRD2CACNA1G
SCHEMBL4748760 0.88 DRD2 (0.42) MEN1KMT2AALDH1A1DRD2CACNA1G

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 1 patent. 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