SCHEMBL5413699

SCHEMBL5413699

CC(C)C(=O)NCC(c1ccccc1F)N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC4R P32245 8/20 0.59
SLC6A2 P23975 9/20 0.54
SLC6A4 P31645 9/20 0.54
KCNH2 Q12809 5/20 0.54
CYP2D6 P10635 2/20 0.54
TACR1 P25103 1/20 0.44
SLC6A3 Q01959 2/20 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
SCHEMBL5400732 0.88 MC4R (0.76) MC4RSLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL5411624 0.86 MC4R (0.59) MC4RSLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL14593473 0.86 MC4R (0.77) MC4RSLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL14593459 0.85 MC4R (0.62) MC4RSLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL14593479 0.84 MC4R (0.64) MC4RSLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL5417823 0.79 MC4R (0.55) MC4R
SCHEMBL14593470 0.78 MC4R (0.76) MC4RSLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL14593463 0.76 MC4R (0.61) MC4RSLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL14593489 0.75 MC4R (0.57) MC4RSLC6A2SLC6A4KCNH2CYP2D6
Hydrochloric Acid SCHEMBL5406022 0.74 MC4R (0.50) MC4R

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
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