SCHEMBL7863707

SCHEMBL7863707

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GPBAR1 Q8TDU6 2/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
LTA4H P09960 1/20 0.44
PLA2G4B P0C869 1/20 0.43
CYP2D6 P10635 1/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
MAPT P10636 1/20 0.42
CHRNA7 P36544 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL7863714 0.95 TSHR (0.51) TSHRKDM4EGPBAR1CYSLTR2CYSLTR1
SCHEMBL7608541 0.92 TSHR (0.52) TSHRKDM4EGPBAR1CYSLTR1ACACB
SCHEMBL12744954 0.88 TSHR (0.51) TSHRKDM4EKMT2A
SCHEMBL7872686 0.84 LTA4H (0.55) TSHRKDM4EGPBAR1CYSLTR2CYSLTR1
SCHEMBL7871869 0.83 TSHR (0.49) TSHRKDM4EGPBAR1CYSLTR2CYSLTR1
SCHEMBL27010001 0.82 LTA4H (0.51) TSHRKDM4ELTA4HCYP2D6CHRNA7
SCHEMBL7609143 0.81 TSHR (0.47) TSHRKDM4EGPBAR1CYSLTR1ACACB
SCHEMBL7875705 0.80 TSHR (0.54) TSHRKDM4EGPBAR1CYSLTR2CYSLTR1
SCHEMBL4397448 0.80 TSHR (0.63) TSHRGPBAR1CYSLTR2CYSLTR1LTA4H
SCHEMBL12744957 0.78 MCHR1 (0.51) TSHRLTA4H

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