SCHEMBL7399355

SCHEMBL7399355

Cc1cccc(N)c1-c1nc(C2CC2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP7 Q93009 2/20 0.41
HTT P42858 1/20 0.40
FABP4 P15090 5/20 0.40
FABP5 Q01469 5/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7398146 0.84 CHRM1 (0.47) POLBCASP3SENP7SENP6CA1
SCHEMBL7397407 0.81 CASP3 (0.46) POLBCASP3SENP7SENP6CA1
SCHEMBL7393716 0.78 POLB (0.53) POLBCASP3SENP7SENP6CA1
SCHEMBL15614823 0.77 FABP4 (0.51) POLBCASP3SENP7SENP6CA1
SCHEMBL27436276 0.77 CA1 (0.53) POLBCASP3SENP7SENP6CA1
SCHEMBL16597175 0.73 CA1 (0.46) POLBCASP3SENP7SENP6CA1
SCHEMBL15578799 0.72 FABP4 (0.54) POLBCASP3SENP7SENP6CA1
SCHEMBL25337057 0.71 CA1 (0.66) POLBCASP3SENP7SENP6CA1
SCHEMBL31375594 0.71 HTT (0.68) POLBCASP3SENP7SENP6CA1
SCHEMBL22347562 0.71 POLB (0.59) POLBCASP3SENP7SENP6CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5330990-A Antagonists of 5-HT and 5-HT3 receptors, psychological disorders, antinausea NOVO NORDISK A/S (DK) 1994-07-19 US disclosed
EP-0419397-B1 Substituted urea compounds and their preparation and use NOVO NORDISK AS (DK) 1994-06-08 EP disclosed
EP-0491770-A1 SUBSTITUTED UREA COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-07-01 EP disclosed
WO-1991003475-A1 SUBSTITUTED UREA COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-03-21 WO disclosed