SCHEMBL7872686

SCHEMBL7872686

CCCCOc1cccc(OCCN(C(C)C)C(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
CHRNB2 P17787 1/20 0.55
CHRNA4 P43681 1/20 0.55
GPBAR1 Q8TDU6 2/20 0.51
CYSLTR2 Q9NS75 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 1/20 0.47
PLA2G4B P0C869 1/20 0.45
CYP2D6 P10635 1/20 0.44
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44

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
SCHEMBL7875705 0.95 TSHR (0.54) LTA4HCHRNB2CHRNA4GPBAR1CYSLTR2
SCHEMBL7608283 0.92 CHRNB2 (0.56) LTA4HCHRNB2CHRNA4GPBAR1CYSLTR2
SCHEMBL7871869 0.86 TSHR (0.49) LTA4HCHRNB2CHRNA4GPBAR1CYSLTR2
SCHEMBL7863707 0.84 TSHR (0.51) LTA4HCHRNB2CHRNA4GPBAR1CYSLTR2
SCHEMBL4397448 0.82 TSHR (0.63) LTA4HGPBAR1CYSLTR2CYSLTR1TSHR
SCHEMBL12409068 0.82 CHRNB2 (0.56) LTA4HCHRNB2CHRNA4TSHRKDM4E
SCHEMBL6902137 0.81 TSHR (0.55) LTA4HCHRNB2CHRNA4TSHRKDM4E
SCHEMBL7863714 0.80 TSHR (0.51) LTA4HGPBAR1CYSLTR2CYSLTR1TSHR
SCHEMBL11568623 0.80 LTA4H (0.54) LTA4HCHRNB2CHRNA4KDM4EESR1
SCHEMBL15279073 0.79 TSHR (0.46) LTA4HCHRNB2CHRNA4GPBAR1CYSLTR2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310252-B1 AS TOPICAL ANAESTHETICS ASTRAZENECA AB (SE) 2001-10-30 US claimed
EP-1047412-A1 NEW USE OF LOCAL ANAESTHETICS AGAINST VASCULAR HEADACHES AstraZeneca AB (SE) 2000-11-02 EP claimed
WO-1999032103-A1 NEW USE OF LOCAL ANAESTHETICS AGAINST VASCULAR HEADACHES ASTRAZENECA AB (SE) 1999-07-01 WO claimed
EP-0858445-A1 NEW (3-ALKOXY-PHENOXY)-ETHYL]-DIALKYLAMINE DERIVATIVES AND THEIR USE AS LOCAL ANAESTHETICS Astra Aktiebolag (SE) 1998-08-19 EP claimed
WO-1997015548-A1 NEW [(3-ALKOXY-PHENOXY)-ETHYL]-DIALKYLAMINE DERIVATIVES AND THEIR USE AS LOCAL ANAESTHETICS ASTRA AKTIEBOLAG (SE) 1997-05-01 WO claimed
US-6310252-B1 AS TOPICAL ANAESTHETICS ASTRAZENECA AB (SE) 2001-10-30 US disclosed
EP-1047412-A1 NEW USE OF LOCAL ANAESTHETICS AGAINST VASCULAR HEADACHES AstraZeneca AB (SE) 2000-11-02 EP disclosed
WO-1999032103-A1 NEW USE OF LOCAL ANAESTHETICS AGAINST VASCULAR HEADACHES ASTRAZENECA AB (SE) 1999-07-01 WO disclosed
EP-0858445-A1 NEW (3-ALKOXY-PHENOXY)-ETHYL]-DIALKYLAMINE DERIVATIVES AND THEIR USE AS LOCAL ANAESTHETICS Astra Aktiebolag (SE) 1998-08-19 EP disclosed
WO-1997015548-A1 NEW [(3-ALKOXY-PHENOXY)-ETHYL]-DIALKYLAMINE DERIVATIVES AND THEIR USE AS LOCAL ANAESTHETICS ASTRA AKTIEBOLAG (SE) 1997-05-01 WO disclosed