SCHEMBL6544804

SCHEMBL6544804

CN(C(=O)OC(C)(C)C)c1cc(Oc2cccc(N3CCOCC3)c2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.43
USP30 Q70CQ3 1/20 0.42
FAAH O00519 3/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
KMO O15229 1/20 0.40
LGMN Q99538 3/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
F10 P00742 1/20 0.38
AOC3 Q16853 1/20 0.37
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
AGXT P21549 1/20 0.36
ABCB1 P08183 1/20 0.36
RAF1 P04049 1/20 0.36

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
SCHEMBL3488556 0.88 NTRK1 (0.48) NTRK1FAAHNPC1KMT2AKMO
SCHEMBL6543989 0.85 POLB (0.41) NPC1KMT2ASLC6A5
SCHEMBL6543750 0.85 MAPT (0.46) KMT2ASLC6A9SLC6A5RAB9A
SCHEMBL6543619 0.81 HDAC3 (0.39) NPC1RAB9APARP14PARP10
SCHEMBL6543768 0.81 MMP13 (0.43) NPC1KMT2ARAB9APARP10
SCHEMBL27782488 0.80 HSD17B1 (0.47) KMT2ARAF1
SCHEMBL14675207 0.80 NTRK1 (0.43) NTRK1USP30FAAHNPC1KMT2A
SCHEMBL27782486 0.79 MGLL (0.40)
SCHEMBL6543661 0.79 HSD17B1 (0.39) KMT2AF10RAB9A
SCHEMBL6544573 0.78 FFAR1 (0.40) AOC3

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-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed