SCHEMBL6589084

SCHEMBL6589084

CCCC(=O)O[C@H](C)c1nccc(N2CCNCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.46
HRH3 Q9Y5N1 3/20 0.43
SORD Q00796 12/20 0.43
PRKD1 Q15139 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38

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
SCHEMBL6586365 1.00 HRH4 (0.46) HRH4HRH3SORDPRKD1PRKD2
SCHEMBL6587251 1.00 HRH4 (0.46) HRH4HRH3SORDPRKD1PRKD2
SCHEMBL6294656 0.85 HRH4 (0.48) HRH4HRH3SORDPRKD1PRKD2
SCHEMBL6294658 0.85 HRH4 (0.48) HRH4HRH3SORDPRKD1PRKD2
SCHEMBL7493841 0.84 SORD (0.33) HRH4SORD
SCHEMBL6293204 0.84 SORD (0.33) HRH4SORD
SCHEMBL6586699 0.83 SORD (0.52) SORD
SCHEMBL6586693 0.83 SORD (0.52) SORD
SCHEMBL6586908 0.82 SORD (0.51) SORD
SCHEMBL6293551 0.82 PRKCQ (0.46) HRH4SORD

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-1041068-B1 Compounds for treating and preventing diabetic complications PFIZER PROD INC (US) 2004-04-14 EP disclosed
US-6294538-B1 ANTIDIABETIC AGENTS AND DIABETIC NEUROPATHY, TREATMENT WITH OXIDOREDUCTASE ENZYMES PFIZER INC. 2001-09-25 US disclosed
EP-1041068-A1 Compounds for treating and preventing diabetic complications Pfizer Products Inc. (US) 2000-10-04 EP disclosed