SCHEMBL5510286

SCHEMBL5510286

CCOC1CCCCC1(C(N)=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.40
SLC6A4 P31645 5/20 0.40
SLC22A1 O15245 1/20 0.39
SLC6A3 Q01959 4/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2C P28335 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC18A3 Q16572 1/20 0.37
OPRM1 P35372 1/20 0.36

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
SCHEMBL5508064 0.91 SLC22A1 (0.41) SLC6A2SLC6A4SLC22A1SLC6A3CYP2D6
SCHEMBL19817376 0.75 AKR1C1 (0.40) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL3257837 0.75 AKR1C1 (0.41) SLC6A2SLC6A4OPRM1
SCHEMBL3842815 0.75 MAOB (0.49) SLC6A2SLC6A4
SCHEMBL3971505 0.73 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL27655505 0.73 ADAM17 (0.48) SLC6A4SLC22A1CYP2D6KDM4EOPRM1
SCHEMBL28505246 0.71 MAOB (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL16112661 0.71 SLC6A3 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL4558510 0.71 OPRL1 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL4558511 0.71 MEN1 (0.40) SLC6A2SLC6A4SLC6A3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814866-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-08-08 EP claimed
WO-2006058012-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-06-01 WO claimed