SCHEMBL7863714

SCHEMBL7863714

CCCCCOc1cccc(OCCN(CC)C(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
KDM4E B2RXH2 2/20 0.50
GPBAR1 Q8TDU6 2/20 0.48
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
PLA2G4B P0C869 2/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
LTA4H P09960 1/20 0.44
SMPD1 P17405 3/20 0.44
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7863707 0.95 TSHR (0.51) TSHRKDM4EGPBAR1PLA2G4BCYSLTR2
SCHEMBL7608541 0.91 TSHR (0.52) TSHRKDM4EGPBAR1CYSLTR1LMNA
SCHEMBL12744954 0.87 TSHR (0.51) TSHRKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL7875705 0.85 TSHR (0.54) TSHRKDM4EGPBAR1THRATHRB
SCHEMBL27010001 0.81 LTA4H (0.51) TSHRKDM4ELTA4HLMNA
SCHEMBL11663051 0.80 TSHR (0.72) TSHRGPBAR1THRATHRBPLA2G4B
SCHEMBL7872686 0.80 LTA4H (0.55) TSHRKDM4EGPBAR1PLA2G4BCYSLTR2
SCHEMBL7609143 0.79 TSHR (0.47) TSHRKDM4EGPBAR1CYSLTR1
SCHEMBL7871869 0.79 TSHR (0.49) TSHRKDM4EGPBAR1THRATHRB
SCHEMBL4208924 0.79 TSHR (0.76) TSHRGPBAR1THRATHRBPLA2G4B

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 9 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
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