SCHEMBL7442901

SCHEMBL7442901

OCC1(CN2CCN(c3ccccc3)CC2)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
CHRNA7 P36544 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
DRD4 P21917 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR1A P08908 3/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
DRD2 P14416 2/20 0.45
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR7 P34969 2/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL6217147 0.74 MEN1 (0.46) ADRA2AADRA2BADRA2CCHRNA7MEN1
SCHEMBL6217205 0.74 MEN1 (0.46) ADRA2AADRA2BADRA2CCHRNA7MEN1
SCHEMBL7433696 0.74 SLC6A2 (0.35) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL14067275 0.73 CHRNA7 (0.64) ADRA2AADRA2BADRA2CCHRNA7MEN1
SCHEMBL6216542 0.72 MEN1 (0.47) ADRA2AADRA2BADRA2CCHRNA7MEN1
SCHEMBL6219114 0.72 MEN1 (0.47) ADRA2AADRA2BADRA2CCHRNA7MEN1
SCHEMBL7180212 0.71 SIGMAR1 (0.58) CHRNA7KCNH2HTR1ASIGMAR1DRD2
SCHEMBL28697423 0.70 USP2 (0.50) ADRA2AADRA2BADRA2CCHRNA7MEN1
SCHEMBL11762555 0.70 KCNH2 (0.69) CHRNA7MEN1KMT2ADRD4KCNH2
SCHEMBL6385783 0.70 KCNH2 (0.69) ADRA2AADRA2BADRA2CCHRNA7MEN1

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-0479665-A2 1,4-Dihydropyridine derivatives, method for preparing the same and use thereof TEIKOKU CHEMICAL INDUSTRIES CO., LTD. (JP) 1992-04-08 EP disclosed