SCHEMBL6678715

SCHEMBL6678715

COC(=O)Oc1cc(NC(=O)c2ccccc2N2CCOCC2)cn1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 1/20 0.48
BRPF1 P55201 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HCRTR1 O43613 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 2/20 0.45
PKM P14618 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL6673493 0.92 RAB9A (0.49) RAB9ANPC1MAPTNFKB1NFKB2
SCHEMBL7038354 0.84 MEN1 (0.51) RAB9ANPC1MAPTNFKB1NFKB2
SCHEMBL6679979 0.84 RAB9A (0.54) RAB9ANPC1MAPTNFKB1NFKB2
SCHEMBL6673492 0.82 RAB9A (0.52) RAB9ANPC1MAPTNFKB1NFKB2
SCHEMBL6674202 0.81 ALDH1A1 (0.47) RAB9ANPC1MAPTNFKB1NFKB2
SCHEMBL7036532 0.72 POLB (0.54) RAB9AALDH1A1KDM4EHTTMEN1
SCHEMBL7743758 0.71 GAA (0.59) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL10153998 0.71 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL6679276 0.71 GAA (0.56) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL19667035 0.70 RAB9A (0.56) RAB9ANPC1MAPTNFKB1NFKB2

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