SCHEMBL3380259

SCHEMBL3380259

CN(CC1CC(Oc2cc(Cl)c(CN3CCCC3)cc2Cl)C1)C(=O)OC1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
BCHE P06276 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.33
KAT2B Q92831 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH1 P35367 1/20 0.32
CCR3 P51677 1/20 0.32
KCNH2 Q12809 1/20 0.32
GAA P10253 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
CHEK1 O14757 1/20 0.31
RPS6KB1 P23443 1/20 0.31
FLT4 P35916 1/20 0.31
FLT3 P36888 1/20 0.31
RPS6KA3 P51812 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKD2 Q9BZL6 1/20 0.31
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL3442653 0.89 HRH3 (0.46) HRH3GPBAR1MEN1KMT2AGAA
SCHEMBL3442655 0.89 HRH3 (0.46) HRH3GPBAR1MEN1KMT2AGAA
SCHEMBL3377352 0.87 HRH3 (0.51) HRH3BCHEKMT2AHRH1CCR3
SCHEMBL3442151 0.86 HRH3 (0.52) HRH3BCHEGPBAR1MEN1KMT2A
SCHEMBL3442149 0.86 HRH3 (0.52) HRH3BCHEGPBAR1MEN1KMT2A
SCHEMBL3377159 0.86 HRH3 (0.41) HRH3BCHEKAT2BBAZ2BMEN1
SCHEMBL3377939 0.84 HRH3 (0.48) HRH3BCHEGPBAR1MEN1KMT2A
SCHEMBL3380792 0.84 HRH3 (0.39) HRH3BCHEKAT2BBAZ2BHRH1
SCHEMBL3377536 0.82 KMT2A (0.38) HRH3BCHEKAT2BBAZ2BMEN1
SCHEMBL3378145 0.82 KDM4E (0.45) BCHEMEN1KMT2AKDM4EALDH1A1

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