SCHEMBL3377320

SCHEMBL3377320

CN(CC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1)S(=O)(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
CYP2A13 Q16696 2/20 0.39
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KCNH2 Q12809 2/20 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
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
MCHR1 Q99705 1/20 0.34
CHKA P35790 1/20 0.33
MLNR O43193 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
SCHEMBL3380456 0.94 HRH3 (0.47) HRH3KDM4EALDH1A1POLBTDP1
SCHEMBL3376782 0.93 HRH3 (0.46) HRH3KDM4EALDH1A1POLBTDP1
SCHEMBL3377335 0.86 HRH3 (0.48) HRH3KDM4EALDH1A1POLBTDP1
SCHEMBL3378079 0.85 HRH3 (0.48) HRH3KDM4EALDH1A1POLBTDP1
SCHEMBL3380891 0.83 HRH3 (0.46) HRH3KDM4EALDH1A1POLBTDP1
SCHEMBL3378215 0.82 CYP2A13 (0.39) HRH3CYP2A13KDM4EALDH1A1POLB
SCHEMBL3378015 0.82 HRH3 (0.45) HRH3KDM4EALDH1A1POLBTDP1
SCHEMBL3376046 0.81 HRH3 (0.44) HRH3ALDH1A1POLBSOS1OPRM1
SCHEMBL3380045 0.81 HRH3 (0.44) HRH3KDM4EALDH1A1POLBTDP1
SCHEMBL3375322 0.81 HRH3 (0.44) HRH3KDM4EALDH1A1POLBTDP1

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