SCHEMBL5509965

SCHEMBL5509965

Cc1oc(-c2ccc(-c3ccccc3S(C)(=O)=O)cc2)nc1CCN1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.68
KDM4E B2RXH2 4/20 0.44
PDE10A Q9Y233 1/20 0.44
CCR2 P41597 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL5509960 0.89 HRH3 (0.67) HRH3KDM4EPDE10ACCR2TDP1
SCHEMBL3578596 0.84 HRH3 (0.68) HRH3KDM4EPDE10ACCR2TDP1
SCHEMBL3583820 0.83 HRH3 (0.67) HRH3KDM4EPDE10ACCR2TDP1
SCHEMBL13807075 0.82 HRH3 (0.95) HRH3KDM4EPDE10ACCR2TDP1
Hydrochloric Acid SCHEMBL3591350 0.82 HRH3 (0.65) HRH3KDM4EPDE10ACCR2TDP1
SCHEMBL3586113 0.81 HRH3 (0.65) HRH3KDM4EPDE10ACCR2TDP1
Hydrochloric Acid SCHEMBL3580508 0.81 HRH3 (0.63) HRH3KDM4EPDE10ACCR2TDP1
SCHEMBL3578418 0.80 HRH3 (0.67) HRH3KDM4EPDE10ACCR2TDP1
SCHEMBL13503458 0.80 HRH3 (0.69) HRH3KDM4EPDE10ACCR2TDP1
SCHEMBL3585423 0.78 HRH3 (0.67) HRH3KDM4EPDE10ACCR2TDP1

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-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