Sugi Predict

Sugi Predict / Compounds / SCHEMBL5312007

SCHEMBL5312007

SCHEMBL5312007

C[C@@H](OCC1CCC(N)CC1)C1CCCCN1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 16/20 0.35
▸ SLC6A2 P23975 15/20 0.35
▸ SLC6A4 P31645 14/20 0.35

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
SCHEMBL384583 1.00 SLC6A3 (0.35) SLC6A3SLC6A2SLC6A4
SCHEMBL14393740 0.76 SLC6A2 (0.39) SLC6A3SLC6A2SLC6A4
SCHEMBL6050232 0.75 SLC6A2 (0.42) SLC6A3SLC6A2SLC6A4
SCHEMBL384444 0.73 SLC6A2 (0.44) SLC6A3SLC6A2SLC6A4
SCHEMBL28529030 0.70 SLC6A2 (0.37) SLC6A3SLC6A2SLC6A4
SCHEMBL4461978 0.69 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4
SCHEMBL271159 0.68 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4
SCHEMBL17377314 0.66 SLC6A2 (0.34) SLC6A3SLC6A2SLC6A4
SCHEMBL9544434 0.66 SLC6A2 (0.33) SLC6A3SLC6A2SLC6A4
SCHEMBL6755257 0.66 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4

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-1838710-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, Inc. (US) 2007-10-03 — — EP disclosed
WO-2006076595-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2006-07-20 — — WO disclosed