SCHEMBL4040381

SCHEMBL4040381

O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1)Oc1cccc2cccnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.36
MC3R P41968 1/20 0.36
MC1R Q01726 1/20 0.36
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTSK P43235 3/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CNR1 P21554 3/20 0.34
HSP90AA1 P07900 1/20 0.33
FABP1 P07148 1/20 0.33
TSHR P16473 1/20 0.33
GRIA1 P42261 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL4044603 0.93 MC4R (0.37) MC4RMC3RMC1RCTSKFNTA
SCHEMBL4044198 0.90 CTSL (0.42) GAAMAPTNPSR1CTSKCTSL
SCHEMBL4052351 0.90 CNR1 (0.36) MC4RMC3RMC1RGAAMAPT
SCHEMBL6210816 0.89 CTSL (0.43) MC4RMC3RMC1RGAAMAPT
SCHEMBL4049994 0.89 CTSK (0.40) MC4RMC3RMC1RGAAMAPT
SCHEMBL4048142 0.88 GAA (0.36) MC4RMC3RMC1RGAAMAPT
SCHEMBL4044814 0.87 FNTA (0.35) MC4RMC3RMC1RCTSKFNTA
SCHEMBL4041745 0.86 CNR1 (0.39) GAAMAPTNPSR1CTSKCTSL
SCHEMBL4042222 0.85 CNR1 (0.34) GAAMAPTNPSR1CTSKFNTA
SCHEMBL4044157 0.85 CNR1 (0.38) GAAMAPTNPSR1CTSKCTSL

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-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed