SCHEMBL7401919

SCHEMBL7401919

Cc1cccc(-c2nc(C3CC3)no2)c1N(C(N)=O)C1CC2CCCC(C1)N2C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.38
FABP5 Q01469 3/20 0.38
HCRTR1 O43613 5/20 0.36
HCRTR2 O43614 5/20 0.36
USP7 Q93009 1/20 0.36
HTT P42858 1/20 0.36
OPRK1 P41145 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KIT P10721 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL7396015 0.87 FABP4 (0.37) FABP4FABP5USP7HTR3AKCNH2
SCHEMBL9363873 0.87 FABP4 (0.37) FABP4FABP5USP7HTR3AKCNH2
SCHEMBL7395468 0.83 FABP4 (0.36) FABP4FABP5USP7HTR3ACA1
SCHEMBL7395839 0.80 NPC1 (0.37) FABP4FABP5HCRTR1HCRTR2HTR3A
SCHEMBL9359539 0.78 ALDH1A1 (0.39) FABP4FABP5NPSR1CA1CA2
SCHEMBL9359531 0.78 ALDH1A1 (0.39) FABP4FABP5NPSR1CA1CA2
SCHEMBL8909978 0.78 FABP4 (0.39) FABP4FABP5USP7LMNAHTR3A
SCHEMBL9821920 0.75 NPC1 (0.47) HTTLMNANPSR1HTR3A
SCHEMBL7401003 0.75 NPC1 (0.47) HTTLMNANPSR1HTR3A
SCHEMBL9359521 0.74 HTR3A (0.44) FABP4FABP5LMNAHTR3AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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