SCHEMBL7802376

SCHEMBL7802376

O=C(NCCSC1c2ccccc2COc2ccc(OCc3ccc4ccccc4n3)cc21)c1nnn[nH]1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 12/20 0.49
TBXAS1 P24557 3/20 0.46
LTB4R Q15722 2/20 0.40
CYSLTR1 Q9Y271 1/20 0.40

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
SCHEMBL8825056 0.84 LTB4R (0.42) TBXA2RTBXAS1LTB4R
SCHEMBL8825027 0.84 TBXA2R (0.47) TBXA2RLTB4RCYSLTR1
SCHEMBL8825049 0.83 LTB4R (0.40) TBXA2RLTB4RCYSLTR1
SCHEMBL7813406 0.83 LTB4R (0.43) TBXA2RTBXAS1LTB4RCYSLTR1
SCHEMBL7808077 0.81 TBXA2R (0.52) TBXA2RTBXAS1LTB4RCYSLTR1
SCHEMBL7801398 0.81 CYSLTR1 (0.50) TBXA2RLTB4RCYSLTR1
SCHEMBL7808205 0.80 TBXA2R (0.47) TBXA2RTBXAS1LTB4RCYSLTR1
SCHEMBL7806801 0.79 CYSLTR1 (0.42) TBXA2RLTB4RCYSLTR1
SCHEMBL7809586 0.79 LTB4R (0.47) TBXA2RLTB4RCYSLTR1
SCHEMBL7806856 0.78 TBXA2R (0.43) TBXA2RTBXAS1LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed