SCHEMBL7020489

SCHEMBL7020489

CCC(C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
HTR2A P28223 1/20 0.43
MAOB P27338 3/20 0.42
HTT P42858 1/20 0.41
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAOA P21397 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
AGTR1 P30556 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL7015306 0.83 FPR2 (0.46) L3MBTL1MAOBMAPTNPSR1MAOA
Hydrochloric Acid SCHEMBL7016531 0.82 ALDH1A1 (0.42) L3MBTL1RAB9AALDH1A1MAPTMEN1
SCHEMBL27431416 0.76 RAB9A (0.51) L3MBTL1HTR2AHTTRAB9AALDH1A1
SCHEMBL8247254 0.72 HTR2A (0.60) L3MBTL1HTR2AMAOBHTTRAB9A
SCHEMBL27787156 0.71 MAPT (0.56) L3MBTL1HTR2AMAOBHTTRAB9A
SCHEMBL29171050 0.70 HTR2A (0.59) L3MBTL1HTR2AMAOBHTTRAB9A
SCHEMBL9091584 0.70 BCL9 (0.44) HTR2ARAB9AALDH1A1MAPTMEN1
SCHEMBL9782567 0.70 IDO1 (0.56) HTR2AMAOBHTTRAB9AALDH1A1
SCHEMBL9820376 0.70 IDO1 (0.56) HTR2AMAOBHTTRAB9AALDH1A1
SCHEMBL11098324 0.69 HTR2A (0.58) L3MBTL1HTR2AMAOBHTTRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972769-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2003-04-16 EP disclosed
US-6177454-B1 ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-23 US disclosed
US-6048884-A ANTIDIABETIC AGENTS; HYPOGLYCEMIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-04-11 US disclosed
EP-0972769-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-01-19 EP disclosed