SCHEMBL5501392

SCHEMBL5501392

Cc1oc(-c2ccc(-c3ccccc3)cc2C(F)(F)F)nc1CCN1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.65
S1PR1 P21453 8/20 0.48
PDE10A Q9Y233 1/20 0.45
S1PR3 Q99500 7/20 0.44
TDP1 Q9NUW8 2/20 0.43
CCR2 P41597 1/20 0.43
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 2/20 0.39
PPARG P37231 1/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5497082 0.85 HRH3 (0.62) HRH3S1PR1PDE10ATDP1CCR2
SCHEMBL13807075 0.83 HRH3 (0.95) HRH3PDE10ATDP1CCR2RAB9A
SCHEMBL3582812 0.82 HRH3 (0.68) HRH3PDE10ATDP1CCR2RAB9A
SCHEMBL3586736 0.77 HRH3 (0.64) HRH3PDE10ATDP1CCR2RAB9A
SCHEMBL13806987 0.76 HRH3 (0.72) HRH3PDE10ATDP1CCR2RAB9A
SCHEMBL5509960 0.75 HRH3 (0.67) HRH3PDE10ATDP1CCR2RAB9A
SCHEMBL3587744 0.74 HRH3 (0.65) HRH3CCR2ALDH1A1KDM4EPPARG
SCHEMBL3587808 0.73 HRH3 (0.68) HRH3PDE10ATDP1CCR2MAPT
SCHEMBL3578418 0.73 HRH3 (0.67) HRH3PDE10ATDP1CCR2RAB9A
SCHEMBL3582796 0.72 HRH3 (0.74) HRH3PDE10ATDP1CCR2RAB9A

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