SCHEMBL7003165

SCHEMBL7003165

Cc1c[nH]cc1C(=O)N1CC(C)NC(C)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
CNR1 P21554 1/20 0.37
CHRNA4 P43681 5/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LRRK2 Q5S007 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
TSHR P16473 1/20 0.33
PAK4 O96013 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
HTT P42858 1/20 0.33
MDM2 Q00987 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
SCHEMBL3400735 0.74 HCRTR1 (0.41) CNR1CHRNA4ALDH1A1HPGDL3MBTL1
SCHEMBL3400731 0.74 HCRTR1 (0.41) CNR1CHRNA4ALDH1A1HPGDL3MBTL1
SCHEMBL7098318 0.74 L3MBTL1 (0.50) NOTUMALDH1A1HPGDL3MBTL1TSHR
SCHEMBL6319364 0.73 CNR1 (0.33) CNR1CHRNA4ALDH1A1HPGDL3MBTL1
SCHEMBL6323380 0.73 CNR1 (0.33) CNR1CHRNA4ALDH1A1HPGDL3MBTL1
SCHEMBL7098881 0.72 NOTUM (0.46) NOTUMCHRNA4ALDH1A1HPGDL3MBTL1
SCHEMBL12237821 0.71 ALDH1A1 (0.56) ALDH1A1HPGD
SCHEMBL17277278 0.71 ALDH1A1 (0.56) ALDH1A1HPGD
SCHEMBL6323251 0.70 ALDH1A1 (0.34) CNR1CHRNA4ALDH1A1HPGDL3MBTL1
SCHEMBL29343730 0.69 PIK3CA (0.36) CNR1CHRNA4ALDH1A1HPGDL3MBTL1

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-1349852-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES Sugen, Inc. (US) 2003-10-08 EP disclosed
WO-2002055517-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES CUI JINGRONG (US) 2002-07-18 WO disclosed