SCHEMBL3375675

SCHEMBL3375675

CN(CC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1)C(=O)Oc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
HRH1 P35367 2/20 0.38
CCR3 P51677 2/20 0.38
KCNH2 Q12809 2/20 0.38
S1PR1 P21453 1/20 0.37
PRKX P51817 1/20 0.37
ACVR1 Q04771 1/20 0.37
S1PR5 Q9H228 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 4/20 0.35
FFAR1 O14842 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 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
SCHEMBL3414223 0.89 HRH3 (0.48) HRH3HRH1CCR3KCNH2S1PR1
SCHEMBL3380337 0.88 KCNH2 (0.42) HRH3KCNH2ALDH1A1KMT2AFFAR1
SCHEMBL3380203 0.88 HRH3 (0.48) HRH3HRH1CCR3KCNH2S1PR1
SCHEMBL3381646 0.87 HRH3 (0.49) HRH3HRH1CCR3KCNH2S1PR1
SCHEMBL3377233 0.85 HRH3 (0.49) HRH3HRH1CCR3KCNH2ALDH1A1
SCHEMBL3377866 0.85 HRH3 (0.48) HRH3HRH1CCR3KCNH2ALDH1A1
SCHEMBL3377635 0.85 HRH3 (0.48) HRH3HRH1CCR3KCNH2ALDH1A1
SCHEMBL3380675 0.85 HRH3 (0.48) HRH3HRH1CCR3KCNH2POLB
SCHEMBL3378100 0.84 HRH3 (0.40) HRH3ALDH1A1POLBKMT2AFFAR1
SCHEMBL3378194 0.84 HRH3 (0.47) HRH3HRH1CCR3KCNH2POLB

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