SCHEMBL5408368

SCHEMBL5408368

COC(=O)NCC(c1ccc(F)cc1F)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.57
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
SLC6A2 P23975 10/20 0.44
SLC6A4 P31645 9/20 0.44
KCNH2 Q12809 5/20 0.44
CYP2D6 P10635 3/20 0.44
SLC6A3 Q01959 3/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL14593473 0.86 MC4R (0.77) MC4RALDH1A1LMNATP53SLC6A2
SCHEMBL5421309 0.81 MC4R (0.54) MC4RALDH1A1LMNATP53TSHR
SCHEMBL14593479 0.77 MC4R (0.64) MC4RALDH1A1LMNASLC6A2SLC6A4
SCHEMBL14593459 0.76 MC4R (0.62) MC4RSLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL5400732 0.74 MC4R (0.76) MC4RSLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL14593469 0.72 MC4R (0.75) MC4RSLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL5411624 0.72 MC4R (0.59) MC4RLMNATP53SLC6A2SLC6A4
SCHEMBL5413699 0.72 MC4R (0.59) MC4RSLC6A2SLC6A4KCNH2CYP2D6
Hydrochloric Acid SCHEMBL2848822 0.72 NPY2R (0.40) MC4RSLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL31647364 0.70 MC4R (0.41) MC4RSLC6A2SLC6A4KCNH2CYP2D6

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 5 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-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