SCHEMBL6052071

SCHEMBL6052071

Cc1c(C(=O)Nc2ccc(N3CCC(N4CCC(O)CC4)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.47
NPC1 O15118 7/20 0.43
RAB9A P51151 6/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 3/20 0.42
HSD17B10 Q99714 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
P2RY12 Q9H244 2/20 0.40
TRPV4 Q9HBA0 1/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.40

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 0.96 PDE7A (0.48) PDE7ANPC1RAB9APKMMAPT
SCHEMBL6052246 0.96 PDE7A (0.48) PDE7ANPC1RAB9APKMMAPT
SCHEMBL6052411 0.93 TDP1 (0.46) PDE7ANPC1RAB9APKMMAPT
Water SCHEMBL6052425 0.92 TRPV4 (0.47) NPC1RAB9APKMMAPTHSD17B10
Water SCHEMBL6052580 0.92 MAPT (0.44) PDE7ANPC1RAB9APKMMAPT
SCHEMBL6052245 0.91 NPC1 (0.42) PDE7ANPC1RAB9APKMMAPT
Water SCHEMBL6052534 0.91 NPC1 (0.42) PDE7ANPC1RAB9APKMMAPT
SCHEMBL6052244 0.91 MCHR1 (0.45) NPC1RAB9APKMMAPTHSD17B10
Water SCHEMBL6052271 0.91 SMN1; SMN2 (0.48) PDE7ANPC1RAB9APKMMAPT
SCHEMBL31303184 0.91 MCHR1 (0.45) NPC1RAB9APKMMAPTHSD17B10

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 3 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 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