SCHEMBL6052116

SCHEMBL6052116

Cc1c(C(=O)Nc2ccc(N3CCN(CCCO)CC3)c(C#N)c2)cnn1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MET P08581 1/20 0.44
AXL P30530 1/20 0.44
MAPT P10636 5/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PKM P14618 1/20 0.43
TRPV4 Q9HBA0 2/20 0.43
MALT1 Q9UDY8 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 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
Hydrochloric Acid SCHEMBL6052329 0.99 NPC1 (0.45) NPC1RAB9AMETAXLMAPT
SCHEMBL6052277 0.95 NPC1 (0.47) NPC1RAB9AMETAXLMAPT
SCHEMBL6052662 0.92 NPC1 (0.47) NPC1RAB9AMETAXLMAPT
SCHEMBL6052333 0.92 TRPV4 (0.45) NPC1RAB9AMETAXLMAPT
Water SCHEMBL6052368 0.92 TRPV4 (0.45) NPC1RAB9AMETAXLMAPT
SCHEMBL6052472 0.92 P2RY12 (0.47) NPC1RAB9AMAPTMEN1ALDH1A1
Water SCHEMBL6052541 0.90 NPC1 (0.45) NPC1RAB9AMETAXLMAPT
SCHEMBL6052715 0.90 MET (0.42) NPC1RAB9AMETAXLMAPT
SCHEMBL6052667 0.89 TRPV4 (0.53) NPC1RAB9AMETAXLMAPT
SCHEMBL6052517 0.89 NPC1 (0.50) NPC1RAB9AMAPTMEN1ALDH1A1

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
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