SCHEMBL6143541

SCHEMBL6143541

CN1CCC[C@H]1C(=O)C1CNc2ccc(OCCCC3CCCNC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
NPY1R P25929 7/20 0.34
HRH3 Q9Y5N1 3/20 0.34
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
TLR7 Q9NYK1 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
GRK2 P25098 1/20 0.33
KMT2A Q03164 1/20 0.33

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 0.86 HRH2 (0.44) GPR119
SCHEMBL6153832 0.86 HRH2 (0.44) GPR119
SCHEMBL6142857 0.85 CYP4F2 (0.40) ITGB3ITGA2BNPY1RCYP4F2CYP4A11
SCHEMBL6154648 0.83 CYP4F2 (0.42) P2RY12ITGB3ITGA2BNPY1RCYP4F2
SCHEMBL6143785 0.80 GPR119 (0.39) ITGB3ITGA2BCYP4F2CYP4A11GPR119
SCHEMBL6143437 0.79 ACP1 (0.40) P2RY12KMT2A
SCHEMBL6143003 0.78 ACP1 (0.39) P2RY12CYP4F2CYP4A11KMT2A
SCHEMBL6143729 0.77 KMT2A (0.36) P2RY12ITGB3ITGA2BNPY1RCYP4F2
SCHEMBL6142980 0.77 F10 (0.43) KMT2A
SCHEMBL6143502 0.74 MAP2K1 (0.38) NPY1RHRH3KMT2A

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