SCHEMBL4744844

SCHEMBL4744844

COc1ccc(C2(c3noc(CNCCN4CCC(c5cccc(C(F)(F)F)c5)CC4)n3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.45
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA1G O43497 3/20 0.41
DRD4 P21917 1/20 0.40
GRM2 Q14416 1/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
XBP1 P17861 1/20 0.38
BLM P54132 1/20 0.38
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 0.36
PRMT6 Q96LA8 2/20 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
SCHEMBL4746781 0.97 MEN1 (0.46) DRD2MEN1ALDH1A1KMT2ACACNA1G
SCHEMBL4748754 0.97 MEN1 (0.45) DRD2MEN1ALDH1A1KMT2ACACNA1G
SCHEMBL4744777 0.92 KMT2A (0.49) DRD2MEN1ALDH1A1KMT2ACACNA1G
SCHEMBL4747795 0.90 DRD2 (0.47) DRD2MEN1ALDH1A1KMT2ACACNA1G
SCHEMBL4748760 0.89 DRD2 (0.42) DRD2MEN1ALDH1A1KMT2ACACNA1G
SCHEMBL4744949 0.89 KMT2A (0.52) DRD2MEN1ALDH1A1KMT2ACACNA1G
SCHEMBL4746964 0.88 DRD2 (0.46) DRD2MEN1ALDH1A1KMT2ACACNA1G
SCHEMBL4747666 0.88 DRD2 (0.46) DRD2MEN1ALDH1A1KMT2ACACNA1G
SCHEMBL4744655 0.87 DRD2 (0.46) DRD2MEN1ALDH1A1KMT2ACACNA1G
SCHEMBL4748342 0.87 DRD2 (0.44) DRD2MEN1ALDH1A1KMT2ACACNA1G

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