SCHEMBL6052235

SCHEMBL6052235

Cc1c(C(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(C#N)c2)cnn1-c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
MAPT P10636 12/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NR1H4 Q96RI1 1/20 0.42
THRB P10828 1/20 0.42
SPR P35270 1/20 0.42
SHMT2 P34897 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IKBKB O14920 1/20 0.41

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
SCHEMBL6052315 0.95 MEN1 (0.52) MEN1ALDH1A1KMT2ANPSR1RXFP1
SCHEMBL6052330 0.89 NPC1 (0.48) MEN1ALDH1A1KMT2ANPSR1RXFP1
SCHEMBL7057679 0.89 MEN1 (0.47) MEN1ALDH1A1KMT2ANPSR1RXFP1
SCHEMBL6052420 0.88 NR1H4 (0.45) MEN1ALDH1A1KMT2ANPSR1RXFP1
Water SCHEMBL6052257 0.88 NR1H4 (0.43) MEN1ALDH1A1KMT2ANPSR1RXFP1
SCHEMBL6052406 0.88 NR1H4 (0.43) MEN1ALDH1A1KMT2ANPSR1RXFP1
Water SCHEMBL6052740 0.88 NR1H4 (0.45) MEN1ALDH1A1KMT2ANPSR1RXFP1
SCHEMBL6052306 0.88 NPC1 (0.45) MEN1ALDH1A1KMT2ANPSR1RXFP1
SCHEMBL6052674 0.88 ALDH1A1 (0.43) MEN1ALDH1A1KMT2ANPSR1RXFP1
Water SCHEMBL6052467 0.88 NPC1 (0.45) MEN1ALDH1A1KMT2ANPSR1RXFP1

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