SCHEMBL4597120

SCHEMBL4597120

CC1(C)O[C@@H]2[C@H](O1)[C@@H](OCCN1CCN(c3ncccn3)CC1)O[C@@H]2[C@H]1COC(C)(C)O1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.37
▸ DRD2 P14416 4/20 0.37
▸ HTR1A P08908 2/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ DRD3 P35462 2/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ MAOB P27338 1/20 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
SCHEMBL4163722 0.84 CA1 (0.36) —
SCHEMBL4597673 0.83 SLC6A2 (0.39) DRD2HTR1AHTR2ASLC6A2SLC6A4
SCHEMBL4595444 0.82 SIGMAR1 (0.46) HTR2AMAOB
SCHEMBL4597107 0.82 DRD2 (0.46) DRD2HTR1AHTR2A
SCHEMBL4172727 0.80 CA1 (0.34) —
SCHEMBL4596757 0.77 HTT (0.41) —
SCHEMBL4596810 0.77 KCNH2 (0.46) HTR2ASLC6A2SLC6A4
SCHEMBL9298888 0.76 CA1 (0.34) —
SCHEMBL4597148 0.75 LDHA (0.43) DRD2DRD3
SCHEMBL4595660 0.75 KDM4E (0.42) DRD2SLC6A2SLC6A4SLC6A3DRD3

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-1874788-A1 MONOSACCHARIDE DERIVATIVES AS ANTI-INFLAMMATORY AND/OR ANTI-CANCER AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-09 — — EP disclosed
WO-2006111783-A1 MONOSACCHARIDE DERIVATIVES AS ANTI-INFLAMMATORY AND/OR ANTI-CANCER AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-10-26 — — WO disclosed
Send feedback