SCHEMBL6052246

SCHEMBL6052246

Cc1c(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.48
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
TRPV4 Q9HBA0 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
CCR1 P32246 2/20 0.42
P2RY12 Q9H244 1/20 0.42
POLB P06746 1/20 0.42

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
Water SCHEMBL6052490 1.00 PDE7A (0.48) PDE7ANPC1RAB9APKMMAPT
SCHEMBL6052071 0.96 PDE7A (0.47) PDE7ANPC1RAB9APKMMAPT
SCHEMBL6052703 0.92 NPC1 (0.47) NPC1RAB9APKMMAPTSMN1; SMN2
SCHEMBL6052240 0.91 NPC1 (0.49) PDE7ANPC1RAB9APKMMAPT
SCHEMBL6052430 0.91 RAB9A (0.57) PDE7ANPC1RAB9APKMSMN1; SMN2
SCHEMBL6052326 0.91 MEN1 (0.54) NPC1RAB9APKMMAPTSMN1; SMN2
SCHEMBL6052413 0.91 NPC1 (0.49) NPC1RAB9APKMMAPTSMN1; SMN2
SCHEMBL6052574 0.91 NPC1 (0.44) NPC1RAB9APKMMAPTSMN1; SMN2
SCHEMBL6052441 0.90 NPC1 (0.48) NPC1RAB9APKMMAPTSMN1; SMN2
SCHEMBL6052270 0.90 NPC1 (0.48) NPC1RAB9APKMMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US claimed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP claimed
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP disclosed