SCHEMBL5136074

SCHEMBL5136074

COc1cccc(C(=O)NCC2(F)CCN(CC(=O)N3[C@H](C)COC[C@H]3C)CC2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
P2RX7 Q99572 3/20 0.44
DRD3 P35462 2/20 0.41
HPGD P15428 1/20 0.41
HCN4 Q9Y3Q4 2/20 0.41
SLC6A12 P48065 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 2/20 0.39
HCN1 O60741 1/20 0.39
CNR2 P34972 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
NAMPT P43490 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2888650 0.75 KCNH2 (0.58) P2RX7
SCHEMBL30848473 0.69 MEN1 (0.64) MEN1KMT2AP2RX7HPGDHCN4
SCHEMBL14708773 0.68 KDM4E (0.45) TP53NPC1ALDH1A1
SCHEMBL27747787 0.64 HPGD (0.69) MEN1KMT2AHPGDLMNAMAPT
SCHEMBL30686690 0.64 HPGD (0.78) MEN1KMT2ADRD3HPGDMAPT
SCHEMBL26936103 0.64 HPGD (0.78) MEN1KMT2ADRD3HPGDMAPT
SCHEMBL26936102 0.63 HPGD (0.86) MEN1KMT2ADRD3HPGDMAPT
SCHEMBL2470992 0.62 MEN1 (0.74) MEN1KMT2AP2RX7ALDH1A1
SCHEMBL30848670 0.62 MEN1 (0.54) MEN1KMT2AP2RX7HPGDHCN4
SCHEMBL8559157 0.62 LMNA (0.53) MEN1KMT2AP2RX7HPGDLMNA

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
EP-1901746-A2 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2008-03-26 EP disclosed
WO-2007002884-A2 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2007-01-04 WO disclosed