SCHEMBL6153832

SCHEMBL6153832

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)C1CNc2ccc(OCCCC3CCCNC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
GPR119 Q8TDV5 10/20 0.42
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC8 Q9BY41 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHEK2 O96017 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
UCHL1 P09936 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
SCHEMBL6143844 1.00 HRH2 (0.44) HRH2HRH1GPR119LMNANPSR1
SCHEMBL6143541 0.86 P2RY12 (0.36) GPR119
SCHEMBL6143785 0.84 GPR119 (0.39) GPR119
SCHEMBL6142857 0.80 CYP4F2 (0.40) CHEK2
SCHEMBL6154648 0.79 CYP4F2 (0.42)
SCHEMBL6143554 0.76 CA12 (0.38) GPR119
SCHEMBL6143437 0.75 ACP1 (0.40) ALDH1A1
SCHEMBL6143003 0.74 ACP1 (0.39) LMNAKDM4E
SCHEMBL6143729 0.73 KMT2A (0.36) CHEK2
SCHEMBL6142980 0.73 F10 (0.43)

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