SCHEMBL4522245

SCHEMBL4522245

COc1cccc(N(C=O)CCN)c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.70
TAAR1 Q96RJ0 1/20 0.45
MTNR1A P48039 13/20 0.45
MTNR1B P49286 13/20 0.45
ESR1 P03372 1/20 0.42
AOC3 Q16853 1/20 0.41
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL27522069 0.76 ALOX15 (0.54) ALOX15MTNR1AMTNR1BESR1AOC3
SCHEMBL24708886 0.75 MTNR1B (0.62) ALOX15TAAR1MTNR1AMTNR1BAOC3
SCHEMBL28255210 0.74 ALOX15 (0.55) ALOX15MTNR1AMTNR1B
SCHEMBL12120436 0.72 MTNR1A (0.50) ALOX15TAAR1MTNR1AMTNR1BESR1
SCHEMBL27842446 0.71 ALOX15 (0.56) ALOX15MTNR1AMTNR1BESR1ALDH1A1
SCHEMBL10477183 0.71 ALOX15 (0.52) ALOX15MTNR1AMTNR1BESR1
SCHEMBL12219826 0.70 MTNR1A (0.54) ALOX15MTNR1AMTNR1BESR1AOC3
SCHEMBL12837169 0.70 MTNR1A (0.54) ALOX15MTNR1AMTNR1BESR1
SCHEMBL10477162 0.70 ALOX15 (0.51) ALOX15MTNR1AMTNR1BESR1ALDH1A1
SCHEMBL21738392 0.70 MTNR1B (0.54) ALOX15TAAR1MTNR1AMTNR1BESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US claimed
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP claimed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP claimed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP claimed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO 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