SCHEMBL3377762

SCHEMBL3377762

CN(CC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1)S(=O)(=O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
PIK3CG P48736 2/20 0.36
HRH1 P35367 1/20 0.35
CCR3 P51677 1/20 0.35
KCNH2 Q12809 1/20 0.35
CXCR4 P61073 3/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ROCK1 Q13464 2/20 0.34
ROCK2 O75116 1/20 0.34
RORC P51449 1/20 0.34
CCR5 P51681 1/20 0.34
SOS1 Q07889 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3378015 0.90 HRH3 (0.45) HRH3HRH1CCR3KCNH2CXCR4
SCHEMBL3375950 0.88 CXCR4 (0.44) HRH3KCNH2CXCR4ROCK1ROCK2
SCHEMBL3377859 0.86 HRH3 (0.44) HRH3HRH1CCR3CXCR4RORC
SCHEMBL3376046 0.85 HRH3 (0.44) HRH3CXCR4SOS1OPRM1OPRD1
SCHEMBL3381250 0.84 CXCR4 (0.35) HRH3CXCR4KEAP1NFE2L2CCR5
SCHEMBL3376020 0.84 CACNA1B (0.42) HRH3HRH1CCR3KCNH2RORC
SCHEMBL3380045 0.84 HRH3 (0.44) HRH3HRH1CCR3KCNH2CXCR4
SCHEMBL3376233 0.83 HRH3 (0.42) HRH3HRH1CCR3KCNH2CXCR4
SCHEMBL3377343 0.83 SOS1 (0.44) HRH3CXCR4SOS1EPHX2ALDH1A1
SCHEMBL3377335 0.83 HRH3 (0.48) HRH3HRH1CCR3KCNH2SOS1

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