SCHEMBL5406440

SCHEMBL5406440

CC(C)(C)OC(=O)N1CCN(C(CN)c2ccccc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.52
POLB P06746 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
STS P08842 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP3A5 P20815 2/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
CACNA1G O43497 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNB1 Q02641 1/20 0.42
KDM1A O60341 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
MC4R P32245 1/20 0.42

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
SCHEMBL14593424 0.87 MC4R (0.47) POLBMEN1KMT2ASTSCHRM2
SCHEMBL5409320 0.87 MC4R (0.47) DPP4CHRM2CHRM4CHRM1CHRM3
SCHEMBL14593237 0.87 ABCB1 (0.45) MEN1KMT2ACHRM2CHRM4CHRM1
SCHEMBL5411133 0.85 MC4R (0.63) POLBMEN1KMT2ASTSCHRM2
SCHEMBL14593447 0.85 MC4R (0.63) POLBMEN1KMT2ASTSCHRM2
SCHEMBL5416429 0.85 MC4R (0.51) POLBMEN1KMT2ASTSCNR1
SCHEMBL5442254 0.85 STS (0.43) POLBMEN1KMT2ASTSCHRM2
SCHEMBL14593236 0.85 CACNA2D1 (0.45) CHRM2CHRM4CHRM1CHRM3CYP3A4
SCHEMBL5413890 0.85 CACNA2D1 (0.45) CHRM2CHRM4CHRM1CHRM3CYP3A4
SCHEMBL14593235 0.84 GLS (0.49) MEN1KMT2ASTSCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-7160886-B2 Acylated piperazine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-01-09 US disclosed
US-20040116699-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-06-17 US disclosed
EP-1358163-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-11-05 EP disclosed
WO-2002059095-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed