SCHEMBL5414142

SCHEMBL5414142

CCN(CC)CC(c1ccc(Cl)cc1)N1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.54
CYP19A1 P11511 1/20 0.54
MC4R P32245 5/20 0.52
OPRD1 P41143 2/20 0.52
OPRM1 P35372 1/20 0.52
SLC6A4 P31645 10/20 0.46
SLC6A2 P23975 9/20 0.46
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
SLC6A3 Q01959 4/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL14593515 0.87 MC4R (0.54) CYP2D6MC4ROPRD1OPRM1SLC6A4
SCHEMBL5418025 0.85 MC4R (0.71) CYP2D6MC4ROPRD1SLC6A4SLC6A2
SCHEMBL14593358 0.85 MC4R (0.71) CYP2D6MC4ROPRD1SLC6A4SLC6A2
SCHEMBL14593518 0.85 MC4R (0.71) CYP2D6MC4ROPRD1SLC6A4SLC6A2
SCHEMBL14593323 0.85 CYP2D6 (0.57) CYP2D6CYP19A1OPRD1OPRM1SLC6A4
Hydrochloric Acid SCHEMBL5405929 0.84 MC4R (0.69) CYP2D6MC4ROPRD1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5405931 0.84 MC4R (0.69) CYP2D6MC4ROPRD1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5411323 0.84 MC4R (0.69) CYP2D6MC4ROPRD1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL23532325 0.84 CYP2D6 (0.55) CYP2D6CYP19A1OPRD1OPRM1SLC6A4
SCHEMBL14593488 0.83 OPRD1 (0.54) CYP2D6MC4ROPRD1OPRM1SLC6A4

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