SCHEMBL10697987

SCHEMBL10697987

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.45
TMPRSS6 Q8IU80 4/20 0.45
F2 P00734 3/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
ST14 Q9Y5Y6 2/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43
SCN5A Q14524 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAOA P21397 1/20 0.43
CNR1 P21554 1/20 0.43
DRD4 P21917 1/20 0.43
ACHE P22303 1/20 0.43
HRH2 P25021 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MAPK1 P28482 1/20 0.43
NTSR1 P30989 1/20 0.43
HRH1 P35367 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
SCHEMBL10700833 1.00 PRSS1 (0.45) PRSS1TMPRSS6F2PRSS2PRSS3
SCHEMBL10698745 0.99 POLB (0.46) PRSS1TMPRSS6F2PRSS2PRSS3
SCHEMBL10702473 0.94 POLB (0.47) PRSS1TMPRSS6F2PRSS2PRSS3
SCHEMBL9809366 0.88 POLB (0.49) TMPRSS6F2POLBLMNASCN5A
SCHEMBL28718042 0.87 TDP1 (0.49) PRSS1TMPRSS6F2PRSS2PRSS3
SCHEMBL1206152 0.82 CA1 (0.49) TMPRSS6F2POLBLMNACA1
SCHEMBL10699417 0.81 SCN5A (0.46) TMPRSS6F2POLBLMNASCN5A
SCHEMBL22661373 0.81 POLB (0.50) TMPRSS6F2POLBLMNASCN5A
SCHEMBL11934949 0.79 PRSS1 (0.53) PRSS1TMPRSS6F2PRSS2PRSS3
SCHEMBL11935689 0.79 PRSS1 (0.46) PRSS1TMPRSS6F2PRSS2PRSS3

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