SCHEMBL4597107

SCHEMBL4597107

COc1ccc(N2CCN(CCO[C@H]3O[C@H]([C@H]4COC(C)(C)O4)[C@@H]4OC(C)(C)O[C@H]34)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.46
▸ HSD17B10 Q99714 1/20 0.43
▸ HTR7 P34969 6/20 0.42
▸ HTR1A P08908 4/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTR2A P28223 2/20 0.38
▸ SOD1 P00441 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HTR1D P28221 1/20 0.37

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
SCHEMBL4597673 0.91 SLC6A2 (0.39) DRD2HTR1AKMT2AHTR2ASOD1
SCHEMBL4597120 0.82 HRH3 (0.37) DRD2HTR1AHTR2A
SCHEMBL4163722 0.82 CA1 (0.36) —
SCHEMBL4595444 0.80 SIGMAR1 (0.46) HTR7HTR2A
SCHEMBL25845030 0.78 CA1 (0.34) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4172727 0.78 CA1 (0.34) —
SCHEMBL4596810 0.78 KCNH2 (0.46) HTR2A
SCHEMBL4595660 0.77 KDM4E (0.42) DRD2MEN1KMT2AADRA1AKDM4E
SCHEMBL4597148 0.75 LDHA (0.43) DRD2ALDH1A1SMN1; SMN2
SCHEMBL9298888 0.74 CA1 (0.34) —

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
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