SCHEMBL13807117

SCHEMBL13807117

Bc1ccc(-c2nc(CCN3CCCC3)c(C)o2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.78
KDM4E B2RXH2 3/20 0.48
PDE10A Q9Y233 1/20 0.48
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.46
CCR2 P41597 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PPARG P37231 2/20 0.42

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
SCHEMBL3583894 0.88 HRH3 (0.76) HRH3KDM4EPDE10AALDH1A1SMN1; SMN2
SCHEMBL13807075 0.88 HRH3 (0.95) HRH3KDM4EPDE10AALDH1A1SMN1; SMN2
SCHEMBL3587934 0.87 HRH3 (0.74) HRH3KDM4EPDE10AALDH1A1SMN1; SMN2
SCHEMBL3582924 0.87 HRH3 (0.74) HRH3KDM4EPDE10AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3994924 0.86 HRH3 (0.73) HRH3KDM4EPDE10AALDH1A1SMN1; SMN2
SCHEMBL3582619 0.85 HRH3 (0.72) HRH3KDM4EPDE10AALDH1A1SMN1; SMN2
SCHEMBL3582328 0.85 HRH3 (0.71) HRH3KDM4EPDE10AALDH1A1SMN1; SMN2
SCHEMBL3582756 0.85 HRH3 (0.71) HRH3KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL3582890 0.85 HRH3 (0.71) HRH3KDM4EPDE10AALDH1A1SMN1; SMN2
SCHEMBL3578596 0.83 HRH3 (0.68) HRH3KDM4EPDE10AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786790-B1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2009-06-03 EP disclosed