SCHEMBL6052240

SCHEMBL6052240

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
PDE7A Q13946 1/20 0.48
MET P08581 1/20 0.47
AXL P30530 1/20 0.47
PKM P14618 1/20 0.46
TRPV4 Q9HBA0 3/20 0.46
MAPT P10636 3/20 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
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 1/20 0.43
IKBKB O14920 1/20 0.43
CCR1 P32246 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
SCHEMBL6052648 0.92 NPC1 (0.50) NPC1RAB9AMETAXLPKM
Water SCHEMBL6052490 0.91 PDE7A (0.48) NPC1RAB9APDE7APKMTRPV4
SCHEMBL6052246 0.91 PDE7A (0.48) NPC1RAB9APDE7APKMTRPV4
SCHEMBL6052430 0.91 RAB9A (0.57) NPC1RAB9APDE7APKMMEN1
SCHEMBL6052471 0.91 NPC1 (0.52) NPC1RAB9AMETAXLPKM
SCHEMBL6052547 0.90 NPC1 (0.52) NPC1RAB9AMETAXLPKM
SCHEMBL6052338 0.90 NPC1 (0.52) NPC1RAB9AMETAXLPKM
SCHEMBL6052409 0.90 NPC1 (0.47) NPC1RAB9APDE7AMETAXL
SCHEMBL6052667 0.90 TRPV4 (0.53) NPC1RAB9AMETAXLPKM
Water SCHEMBL6052403 0.89 NPC1 (0.46) NPC1RAB9AMETAXLPKM

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 7 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
CN-1346348-A Amide compound and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2002-04-24 CN 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