SCHEMBL8314512

SCHEMBL8314512

CCCCOC(=O)N1CCC(C2CCN(Cc3ccc(S(=O)(=O)c4ccc(O)c(O)c4)cc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.47
CHRM1 P11229 2/20 0.47
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
S1PR5 Q9H228 3/20 0.42
MMP9 P14780 4/20 0.40
MMP13 P45452 4/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
CHRM4 P08173 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL8315477 0.81 ALDH1A1 (0.51) CHRM2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL8314793 0.80 HRH3 (0.55) CHRM2ALDH1A1KMT2AMEN1CYP2D6
SCHEMBL8313001 0.79 MEN1 (0.45) CHRM2ALDH1A1KMT2AMEN1CYP2D6
SCHEMBL8313087 0.77 CHRM2 (0.54) CHRM2CHRM1ALDH1A1KMT2AMEN1
SCHEMBL8314516 0.75 CHRM2 (0.52) CHRM2CHRM1ALDH1A1KMT2AMEN1
SCHEMBL8313105 0.72 HDAC3 (0.52) KMT2AMEN1
SCHEMBL8314558 0.72 CHRM2 (0.55) CHRM2
SCHEMBL8319668 0.71 CHRM2 (0.52) CHRM2CHRM1S1PR5CHRM4HRH3
SCHEMBL31277295 0.71 MAPK1 (0.51) ALDH1A1KMT2AKDM4EMEN1CYP2D6
SCHEMBL1006676 0.70 SMN1; SMN2 (0.45) KMT2AMEN1CHRM4LMNA

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
WO-2004066960-A2 COMBINATION OF H1, H3 AND H4 RECEPTOR ANTAGONISTS FOR TREATMENT OF ALLERGIC AND NON-ALLERGIC PULMONARY INFLAMMATION, CONGESTION AND ALLERGIC RHINITIS SCHERING CORPORATION (US) 2004-08-12 WO disclosed