SCHEMBL4744949

SCHEMBL4744949

Cc1ccc(C2(c3noc(CNCCN4CCC(c5cccc(C(F)(F)F)c5)CC4)n3)CCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
ALDH1A1 P00352 2/20 0.52
DRD2 P14416 2/20 0.46
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
DRD4 P21917 1/20 0.41
GRM2 Q14416 1/20 0.41
RBP1 P09455 3/20 0.40
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CACNA1G O43497 2/20 0.37
MCHR1 Q99705 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
SCHEMBL4744777 0.97 KMT2A (0.49) KMT2AMEN1ALDH1A1DRD2MAPT
SCHEMBL4748316 0.93 MEN1 (0.46) KMT2AMEN1ALDH1A1DRD2MAPT
SCHEMBL4744996 0.92 DRD2 (0.46) KMT2AMEN1ALDH1A1DRD2MAPT
SCHEMBL4748754 0.92 MEN1 (0.45) KMT2AMEN1ALDH1A1DRD2MAPT
SCHEMBL4747666 0.92 DRD2 (0.46) KMT2AMEN1ALDH1A1DRD2DRD4
SCHEMBL4744655 0.91 DRD2 (0.46) KMT2AMEN1ALDH1A1DRD2MAPT
SCHEMBL4746781 0.90 MEN1 (0.46) KMT2AMEN1ALDH1A1DRD2MAPT
SCHEMBL4745089 0.90 DRD2 (0.45) KMT2AMEN1ALDH1A1DRD2MAPT
SCHEMBL4746964 0.90 DRD2 (0.46) KMT2AMEN1ALDH1A1DRD2MAPT
SCHEMBL4744215 0.90 DRD2 (0.42) KMT2AMEN1ALDH1A1DRD2DRD4

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