SCHEMBL6606367

SCHEMBL6606367

NC[C](Cc1ccco1)Cc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
GAA P10253 2/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.38
CHRM2 P08172 1/20 0.37
EPHX2 P34913 3/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 3/20 0.36
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL14363037 0.76 ALDH1A1 (0.40) ALOX5GAAKMT2AALDH1A1CHRM2
SCHEMBL1295080 0.75 AOC2 (0.41) ALOX5GAAKMT2AALDH1A1TDP1
SCHEMBL1295077 0.75 AOC2 (0.41) ALOX5GAAKMT2AALDH1A1TDP1
SCHEMBL1295476 0.75 AOC2 (0.41) ALOX5GAAKMT2AALDH1A1TDP1
SCHEMBL10368385 0.74
SCHEMBL2100052 0.74
SCHEMBL43101 0.74
SCHEMBL7087548 0.73 ALDH1A1 (0.52) ALOX5KMT2AALDH1A1TSHREPHX2
SCHEMBL9367648 0.73
SCHEMBL2333093 0.73

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-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP claimed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO claimed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO disclosed