SCHEMBL7317820

SCHEMBL7317820

N=C(N)c1ccc(N2CC[N]CC2)nc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 2/20 0.77
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
TMPRSS6 Q8IU80 2/20 0.43
ST14 Q9Y5Y6 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HRH3 Q9Y5N1 4/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL31442460 0.80 UBE2T (0.70) UBE2TF2PRSS1PRSS2PRSS3
SCHEMBL31442438 0.80 UBE2T (0.70) UBE2TF2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL31442602 0.79 UBE2T (0.68) UBE2TF2PRSS1PRSS2PRSS3
SCHEMBL7316048 0.76 F2 (0.75) UBE2TF2PRSS1PRSS2PRSS3
SCHEMBL16661120 0.72 UBE2T (0.58) UBE2THRH3HPGDCRBN
SCHEMBL16788248 0.71 ITGB3 (0.58) UBE2TF2PRSS1PRSS2PRSS3
SCHEMBL1447393 0.70 CNR2 (0.55) ALDH1A1KMT2A
SCHEMBL4677360 0.70 GRIN2D (0.53) UBE2TALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL29475033 0.70 UBE2T (0.71) UBE2TALDH1A1HRH3KDM4EPOLB
SCHEMBL3920532 0.70 DHFR (0.48) UBE2TALDH1A1HRH3KDM4ENPC1

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
US-5843948-A Piperazinophenyl- and piperazinophenyloxycarboxylic acid derivatives, and processes and intermediates for their preparation and pharmaceutical compositions comprising them SOLVAY PHARMACEUTICALS GMBH (DE) 1998-12-01 US disclosed