Sugi Predict

Sugi Predict / Compounds / SCHEMBL5718317

SCHEMBL5718317

SCHEMBL5718317

CC(c1ccc(-c2ccccc2)cc1)C1(O)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.49
▸ SLC6A4 P31645 4/20 0.49
▸ SLC6A3 Q01959 4/20 0.49
▸ PTGS2 P35354 1/20 0.44
▸ OPRM1 P35372 1/20 0.39

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
Hydrochloric Acid SCHEMBL5701112 0.98 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3PTGS2OPRM1
SCHEMBL5718320 0.95 PTGS2 (0.46) SLC6A2SLC6A4SLC6A3PTGS2OPRM1
SCHEMBL8124662 0.89 OPRM1 (0.46) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL9717862 0.89 OPRM1 (0.46) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL17086666 0.87 OPRM1 (0.47) SLC6A2SLC6A4OPRM1
SCHEMBL17086655 0.87 OPRM1 (0.47) SLC6A2SLC6A4OPRM1
SCHEMBL5718200 0.85 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL17086664 0.83 OPRM1 (0.47) OPRM1
SCHEMBL17086651 0.83 OPRM1 (0.47) OPRM1
SCHEMBL19494132 0.83 OPRM1 (0.47) OPRM1

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-1687288-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-08-09 — — EP claimed
WO-2005037809-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 — — WO claimed