SCHEMBL9537238

SCHEMBL9537238

Fc1ccc(Cn2c(CC3CCN(CCNc4ncccn4)CC3)nc3ccncc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
ENPP2 Q13822 1/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 1/20 0.41
SLC6A9 P48067 1/20 0.41
SSTR5 P35346 2/20 0.40
DHFR P00374 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
NR4A2 P43354 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.38
HRH1 P35367 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
Oxalic Acid SCHEMBL9537334 0.95 ENPP2 (0.44) KCNH2ENPP2HPGDMAPTSLC6A9
Oxalic Acid SCHEMBL9537337 0.95 ENPP2 (0.44) KCNH2ENPP2HPGDMAPTSLC6A9
SCHEMBL9536807 0.90 SSTR5 (0.50) KCNH2MAPTSSTR5LMNAHTT
SCHEMBL9537882 0.86 SLC6A9 (0.41) KCNH2SLC6A9SSTR5NR4A2CYP2D6
SCHEMBL9535415 0.85 SLC6A9 (0.55) ENPP2MAPTSLC6A9LMNAPOLB
Oxalic Acid SCHEMBL9540168 0.85 ENPP2 (0.44) ENPP2HPGDMAPTSSTR5LMNA
Oxalic Acid SCHEMBL9540171 0.85 ENPP2 (0.44) ENPP2HPGDMAPTSSTR5LMNA
SCHEMBL9537733 0.85 ENPP2 (0.44) ENPP2HPGDMAPTSSTR5LMNA
SCHEMBL9698322 0.84 SSTR5 (0.59) KCNH2MAPTSSTR5LMNAHTT
SCHEMBL9538842 0.84 SSTR5 (0.52) ENPP2SSTR5CYP2D6

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
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP claimed