SCHEMBL7875705

SCHEMBL7875705

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
GPBAR1 Q8TDU6 3/20 0.53
LTA4H P09960 2/20 0.50
CYSLTR1 Q9Y271 2/20 0.50
CYSLTR2 Q9NS75 1/20 0.50
KDM4E B2RXH2 1/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
PLA2G4B P0C869 1/20 0.47
SMPD1 P17405 3/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 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
SCHEMBL7872686 0.95 LTA4H (0.55) TSHRCHRNB2CHRNA4GPBAR1LTA4H
SCHEMBL7608283 0.90 CHRNB2 (0.56) TSHRCHRNB2CHRNA4GPBAR1LTA4H
SCHEMBL7863714 0.85 TSHR (0.51) TSHRGPBAR1LTA4HCYSLTR1CYSLTR2
SCHEMBL11663051 0.83 TSHR (0.72) TSHRGPBAR1LTA4HCYSLTR1CYSLTR2
SCHEMBL7871869 0.81 TSHR (0.49) TSHRCHRNB2CHRNA4GPBAR1LTA4H
SCHEMBL6677146 0.81 TSHR (0.76) TSHRGPBAR1LTA4HCYSLTR1CYSLTR2
SCHEMBL17138169 0.81 TSHR (0.76) TSHRGPBAR1LTA4HCYSLTR1CYSLTR2
SCHEMBL3905859 0.81 TSHR (0.76) TSHRGPBAR1LTA4HCYSLTR1CYSLTR2
SCHEMBL4208924 0.81 TSHR (0.76) TSHRGPBAR1LTA4HCYSLTR1CYSLTR2
SCHEMBL17138159 0.81 TSHR (0.76) TSHRGPBAR1LTA4HCYSLTR1CYSLTR2

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 6 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
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