SCHEMBL7020485

SCHEMBL7020485

CCOC(=O)Cc1nccn1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 4/20 0.49
NOS1 P29475 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL7015305 0.84 MEN1 (0.52) RAB9AMAPTHTTLMNASMN1; SMN2
SCHEMBL21208597 0.83 OPRM1 (0.51) MAPTHTTLMNAALDH1A1MEN1
Hydrochloric Acid SCHEMBL7016527 0.82 OPRM1 (0.50) MAPTHTTLMNAALDH1A1MEN1
SCHEMBL3182549 0.81 HTT (0.54) RAB9AMAPTHTTLMNANOS1
SCHEMBL30554021 0.81 KCNJ1 (0.51) RAB9AMAPTHTTLMNANOS1
SCHEMBL30406199 0.79 OPRM1 (0.47) MAPTHTTLMNAALDH1A1MEN1
SCHEMBL4829087 0.79 HTT (0.60) RAB9AMAPTHTTLMNANOS1
SCHEMBL398701 0.77 LMNA (0.73) RAB9AMAPTHTTLMNAALDH1A1
SCHEMBL7016549 0.76 NOS1 (0.63) RAB9AMAPTHTTLMNANOS1
SCHEMBL1984377 0.76 LMNA (0.71) RAB9AMAPTHTTLMNAALDH1A1

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