SCHEMBL4680461

SCHEMBL4680461

CC(O)c1ccc2c[c]ccc2n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1261383 0.73 ALDH1A1 (0.54) ALDH1A1HSD17B10
SCHEMBL295035 0.72 CYP1A2 (0.54)
SCHEMBL530121 0.71 KMT2A (0.37) ALDH1A1
SCHEMBL2478096 0.71
SCHEMBL1500175 0.70 NCF1 (0.38)
SCHEMBL27824785 0.68
SCHEMBL6231133 0.68 MGAM (0.38) ALDH1A1
SCHEMBL18109831 0.68 BACE1 (0.50) ALDH1A1
SCHEMBL16655123 0.67 PARP1 (0.33)
SCHEMBL2476823 0.67 BACE1 (0.50)

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-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP disclosed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO disclosed