SCHEMBL3380414

SCHEMBL3380414

CC(C)n1cc(OC(=O)N(C)CC2CC(Oc3ccc(CN4CCCC4)c(Cl)c3)C2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
FLT1 P17948 2/20 0.36
FLT4 P35916 2/20 0.36
KDR P35968 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HRH1 P35367 2/20 0.34
CCR3 P51677 2/20 0.34
KCNH2 Q12809 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
LSS P48449 1/20 0.33
MLNR O43193 1/20 0.33
ABL1 P00519 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
RIN1 Q13671 1/20 0.32

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
SCHEMBL3380899 0.85 HRH3 (0.49) HRH3FLT4MEN1KMT2AHRH1
SCHEMBL3375310 0.85 HRH3 (0.38) HRH3MEN1KMT2AALDH1A1MAPT
SCHEMBL3377526 0.83 HRH3 (0.47) HRH3MEN1KMT2AHRH1CCR3
SCHEMBL3377768 0.83 HRH3 (0.56) HRH3MEN1KMT2AHRH1CCR3
SCHEMBL3380239 0.82 HRH3 (0.54) HRH3MEN1KMT2AHRH1CCR3
SCHEMBL3381646 0.82 HRH3 (0.49) HRH3FLT4KMT2AHRH1CCR3
SCHEMBL3377866 0.82 HRH3 (0.48) HRH3HRH1CCR3KCNH2ALDH1A1
SCHEMBL3414223 0.82 HRH3 (0.48) HRH3HRH1CCR3KCNH2MLNR
SCHEMBL3377725 0.81 HRH3 (0.46) HRH3MEN1KMT2AHRH1CCR3
SCHEMBL3375063 0.81 HRH3 (0.70) HRH3HRH1CCR3KCNH2ALDH1A1

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