SCHEMBL4646695

SCHEMBL4646695

CCS(=O)(=O)NCC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.40
SOS1 Q07889 2/20 0.37
HRH1 P35367 2/20 0.37
CCR3 P51677 2/20 0.37
KCNH2 Q12809 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX2 P34913 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL3378463 0.85 HRH3 (0.43) HRH3HRH1CCR3KCNH2OPRM1
SCHEMBL3379505 0.85 HRH3 (0.43) HRH3HRH1CCR3KCNH2OPRM1
SCHEMBL3380191 0.85 HRH3 (0.49) HRH3KCNH2POLBMEN1KMT2A
SCHEMBL4649156 0.85 HRH3 (0.43) HRH3HRH1CCR3KCNH2POLB
SCHEMBL3378456 0.82 HRH3 (0.39) HRH3SOS1HRH1CCR3KCNH2
SCHEMBL3416630 0.82 SOS1 (0.35) HRH3SOS1HRH1CCR3KCNH2
SCHEMBL4648386 0.82 ADRA1A (0.39) HRH3KDM4EALDH1A1POLBTDP1
SCHEMBL3430594 0.82 GSK3B (0.45) HRH3HRH1CCR3KCNH2OPRM1
SCHEMBL3378079 0.81 HRH3 (0.48) HRH3SOS1HRH1CCR3KCNH2
SCHEMBL4646898 0.80 POLB (0.36) HRH3SOS1HRH1CCR3KCNH2

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-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP claimed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO claimed