SCHEMBL3380073

SCHEMBL3380073

Cc1cc(S(=O)(=O)N(C)CC2CC(Oc3ccc(CN4CCCC4)c(Cl)c3)C2)c(C)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
TSHR P16473 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SOS1 Q07889 2/20 0.33
HRH1 P35367 2/20 0.33
CCR3 P51677 2/20 0.33
KCNH2 Q12809 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
GFER P55789 1/20 0.32
MLNR O43193 1/20 0.32
CHKA P35790 1/20 0.32
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
LMNA P02545 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
SCHEMBL3375325 0.86 HRH3 (0.43) HRH3ALDH1A1POLBKDM4ETDP1
SCHEMBL3380045 0.86 HRH3 (0.44) HRH3ALDH1A1POLBKDM4ETDP1
SCHEMBL3378149 0.85 HRH3 (0.42) HRH3ALDH1A1POLBKDM4ETDP1
SCHEMBL3376065 0.85 HRH3 (0.42) HRH3ALDH1A1POLBKDM4ETDP1
SCHEMBL3377932 0.85 HRH3 (0.42) HRH3ALDH1A1POLBKDM4ETDP1
SCHEMBL3378096 0.84 HRH3 (0.43) HRH3ALDH1A1POLBKDM4ETDP1
SCHEMBL3376768 0.84 HRH3 (0.41) HRH3ALDH1A1KDM4ESOS1HRH1
SCHEMBL3379086 0.84 TSHR (0.39) HRH3TSHRMAPTALDH1A1POLB
SCHEMBL3377481 0.84 HRH3 (0.42) HRH3ALDH1A1KDM4ESOS1MLNR
SCHEMBL3377335 0.84 HRH3 (0.48) HRH3ALDH1A1POLBKDM4ETDP1

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