SCHEMBL6143785

SCHEMBL6143785

CC(C)(C)OC(=O)C1CNc2ccc(OCCCC3CCCNC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.39
KMT2A Q03164 1/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
MAP2K1 Q02750 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
HRH4 Q9H3N8 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6154648 0.86 CYP4F2 (0.42) KMT2ACYP4F2CYP4A11MAP2K1ITGB3
SCHEMBL6143844 0.84 HRH2 (0.44) GPR119
SCHEMBL6153832 0.84 HRH2 (0.44) GPR119
SCHEMBL6142857 0.84 CYP4F2 (0.40) KMT2ACYP4F2CYP4A11MAP2K1ITGB3
SCHEMBL6143554 0.83 CA12 (0.38) GPR119HRH4
SCHEMBL6143437 0.82 ACP1 (0.40) KMT2AHRH4
SCHEMBL6143003 0.81 ACP1 (0.39) KMT2ACYP4F2CYP4A11MAP2K1HPGD
SCHEMBL6143541 0.80 P2RY12 (0.36) GPR119KMT2ACYP4F2CYP4A11ITGB3
SCHEMBL6143001 0.80 CHEK2 (0.40)
SCHEMBL6991041 0.80 GPR119 (0.34) GPR119CYP4F2CYP4A11

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