SCHEMBL5497082

SCHEMBL5497082

Cc1oc(-c2ccc(-c3ccccc3)cc2OC(F)(F)F)nc1CCN1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.62
PDE10A Q9Y233 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
CCR2 P41597 1/20 0.41
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 1/20 0.39
DRD2 P14416 3/20 0.39
SLC6A3 Q01959 3/20 0.39
S1PR1 P21453 2/20 0.39
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL5501392 0.85 HRH3 (0.65) HRH3PDE10ATDP1CCR2PPARG
SCHEMBL3586736 0.83 HRH3 (0.64) HRH3PDE10ATDP1CCR2GAA
SCHEMBL13807075 0.80 HRH3 (0.95) HRH3PDE10ATDP1CCR2POLB
SCHEMBL3587744 0.80 HRH3 (0.65) HRH3CCR2PPARGPPARASLC6A3
SCHEMBL3582812 0.77 HRH3 (0.68) HRH3PDE10ATDP1CCR2PPARG
SCHEMBL3579292 0.76 HRH3 (0.65) HRH3POLBGAALMNAKDM4E
SCHEMBL13806987 0.74 HRH3 (0.72) HRH3PDE10ATDP1CCR2POLB
SCHEMBL5509960 0.73 HRH3 (0.67) HRH3PDE10ATDP1CCR2PPARG
SCHEMBL3587808 0.71 HRH3 (0.68) HRH3PDE10ATDP1CCR2POLB
SCHEMBL3582756 0.71 HRH3 (0.71) HRH3POLBGAAPPARALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786790-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-23 EP claimed
WO-2006019833-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-02-23 WO claimed
EP-1786790-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-23 EP disclosed
WO-2006019833-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-02-23 WO disclosed