SCHEMBL3380899

SCHEMBL3380899

COc1ncc(OC(=O)N(C)CC2CC(Oc3ccc(CN4CCCC4)c(Cl)c3)C2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
FFAR1 O14842 1/20 0.36
CHEK1 O14757 1/20 0.36
RPS6KB1 P23443 1/20 0.36
FLT4 P35916 1/20 0.36
FLT3 P36888 1/20 0.36
RPS6KA3 P51812 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
GSK3B P49841 1/20 0.36
ADRB2 P07550 1/20 0.35
MLNR O43193 2/20 0.35
GHSR Q92847 1/20 0.35
KCNH2 Q12809 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
HRH1 P35367 1/20 0.35
CCR3 P51677 1/20 0.35
LSS P48449 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
SCHEMBL3380414 0.85 HRH3 (0.47) HRH3FLT4GSK3BMLNRKCNH2
SCHEMBL3381646 0.85 HRH3 (0.49) HRH3CHEK1RPS6KB1FLT4FLT3
SCHEMBL3414223 0.85 HRH3 (0.48) HRH3MLNRKCNH2HRH1CCR3
SCHEMBL3375225 0.84 HRH3 (0.47) HRH3GSK3BADRB2MLNRKCNH2
SCHEMBL3375675 0.84 HRH3 (0.49) HRH3FFAR1KCNH2OPRM1OPRD1
SCHEMBL3377866 0.83 HRH3 (0.48) HRH3GSK3BADRB2MLNRKCNH2
SCHEMBL3375063 0.82 HRH3 (0.70) HRH3ADRB2MLNRKCNH2OPRM1
SCHEMBL3377922 0.82 HRH3 (0.54) HRH3ADRB2MLNRKCNH2HRH1
Cyclopropane SCHEMBL3413689 0.81 HRH3 (0.57) HRH3MLNRKCNH2HRH1CCR3
SCHEMBL3381173 0.81 HRH3 (0.57) HRH3MLNRKCNH2HRH1CCR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed