SCHEMBL6143554

SCHEMBL6143554

CC(C)(C)OC(=O)NCCC1CNc2ccc(OCCCC3CCCNC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
PDK2 Q15119 1/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
NQO2 P16083 1/20 0.37
GPR119 Q8TDV5 3/20 0.36
ACP1 P24666 2/20 0.36
ROCK2 O75116 1/20 0.36
PKN2 Q16513 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL6143785 0.83 GPR119 (0.39) GPR119HRH4
SCHEMBL6143502 0.79 MAP2K1 (0.38) ACP1HRH4
SCHEMBL6143453 0.79 NPY1R (0.38) ACP1HRH4
SCHEMBL6142942 0.79 ACP1 (0.42) ACP1
SCHEMBL6143437 0.78 ACP1 (0.40) MTNR1AMTNR1BNQO2ACP1ROCK2
SCHEMBL6142866 0.78 HRH3 (0.38) ACP1
SCHEMBL6143574 0.77 GPR119 (0.44) CA12CA1CA2CA9GPR119
SCHEMBL6154648 0.77 CYP4F2 (0.42) ACP1
SCHEMBL12696399 0.77 NQO2 (0.44) CA12CA1CA2CA9MTNR1A
SCHEMBL17751111 0.77 NQO2 (0.44) CA12CA1CA2CA9MTNR1A

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-1585731-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATON AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004026837-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATON AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed