SCHEMBL10698745

SCHEMBL10698745

CC(C)(C)OC(=O)c1ccc(NCCCCN)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.44
SCN5A Q14524 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAOA P21397 1/20 0.44
CNR1 P21554 1/20 0.44
DRD4 P21917 1/20 0.44
ACHE P22303 1/20 0.44
HRH2 P25021 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
MAPK1 P28482 1/20 0.44
NTSR1 P30989 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SCN1A P35498 1/20 0.44
HTR2B P41595 1/20 0.44
SCN7A Q01118 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL10697987 0.99 PRSS1 (0.45) POLBLMNASCN5ACYP1A2MAOA
SCHEMBL10700833 0.99 PRSS1 (0.45) POLBLMNASCN5ACYP1A2MAOA
SCHEMBL10702473 0.96 POLB (0.47) POLBLMNASCN5ACYP1A2MAOA
SCHEMBL9809366 0.90 POLB (0.49) POLBLMNASCN5ACYP1A2MAOA
SCHEMBL28718042 0.86 TDP1 (0.49) POLBLMNASCN5ACYP1A2MAOA
SCHEMBL1206152 0.83 CA1 (0.49) POLBLMNACA1CA2CA12
SCHEMBL10699417 0.82 SCN5A (0.46) POLBLMNASCN5ACYP1A2MAOA
SCHEMBL22661373 0.82 POLB (0.50) POLBLMNASCN5ACYP1A2MAOA
SCHEMBL22940491 0.79 POLB (0.72) POLBLMNASCN5ACYP1A2MAOA
SCHEMBL23619645 0.79 CA1 (0.47) POLBLMNAMAPK1CA1CA2

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-0284413-A2 Derivative of a fibrinolytic enzyme BEECHAM GROUP PLC (GB) 1988-09-28 EP disclosed