SCHEMBL4784602

SCHEMBL4784602

CN1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1Cl)C(=O)N1CCC(c2ccccc2NS(C)(=O)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.48
CYP51A1 Q16850 2/20 0.46
CCR1 P32246 4/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RCE1 Q9Y256 1/20 0.39
CCR10 P46092 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CALCA P06881 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL4697653 0.89 TACR1 (0.50) TACR1CYP51A1CCR1
SCHEMBL4701823 0.79 TACR1 (0.51) TACR1CYP51A1CCR1
SCHEMBL4701845 0.76 TACR1 (0.47) TACR1ALDH1A1
SCHEMBL4697659 0.75 TACR1 (0.51) TACR1CYP51A1CCR1
SCHEMBL4680475 0.75 TACR1 (0.52) TACR1CYP51A1CCR1ALDH1A1
SCHEMBL4679448 0.74 TACR1 (0.49) TACR1CYP51A1CCR1
SCHEMBL4515112 0.74 MC4R (0.55) TACR1ALDH1A1
SCHEMBL4700103 0.74 TACR1 (0.49) TACR1CYP51A1CCR1
SCHEMBL4676388 0.74 TACR1 (0.49) TACR1CYP51A1CCR1
SCHEMBL4703222 0.72 TACR1 (0.57) TACR1

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