SCHEMBL6673493

SCHEMBL6673493

Cn1cc(NC(=O)c2ccccc2N2CCOCC2)cc1OC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 6/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 2/20 0.47
USP2 O75604 1/20 0.46
KDM4E B2RXH2 5/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.45
HIF1A Q16665 2/20 0.45
PKM P14618 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
BRPF1 P55201 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL6678715 0.92 RAB9A (0.49) RAB9AALDH1A1NPC1HPGDGAA
SCHEMBL6673492 0.84 RAB9A (0.52) RAB9AALDH1A1NPC1HPGDGAA
SCHEMBL6679979 0.84 RAB9A (0.54) RAB9AALDH1A1NPC1HPGDUSP2
SCHEMBL7038354 0.82 MEN1 (0.51) RAB9AALDH1A1NPC1HPGDGAA
SCHEMBL6674202 0.81 ALDH1A1 (0.47) RAB9AALDH1A1NPC1HPGDGAA
SCHEMBL6673895 0.77 CHRNB2 (0.56) RAB9AALDH1A1GAAKDM4EMAPT
SCHEMBL6679276 0.73 GAA (0.56) RAB9AALDH1A1NPC1HPGDGAA
SCHEMBL6673887 0.73 L3MBTL1 (0.52) RAB9AALDH1A1NPC1GAAKDM4E
SCHEMBL6675660 0.72 HTT (0.51) RAB9AALDH1A1HPGDGAAKDM4E
SCHEMBL7036532 0.72 POLB (0.54) RAB9AALDH1A1GAAKDM4ELMNA

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
EP-1465613-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-10-13 EP disclosed
WO-2003057205-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-17 WO disclosed
WO-2003004020-A1 HETEROARYL CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-16 WO disclosed