SCHEMBL8987097

SCHEMBL8987097

O=C(O)CCCCCCc1cc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.65
ACACA Q13085 4/20 0.50
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PTGIR P43119 3/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
NR4A2 P43354 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
SCHEMBL8987194 0.79 LTB4R (1.00) LTB4R
SCHEMBL8987249 0.79 LTB4R (1.00) LTB4R
SCHEMBL8987185 0.79 LTB4R (1.00) LTB4R
SCHEMBL8987184 0.79 LTB4R (1.00) LTB4R
SCHEMBL10673312 0.78 PDE10A (0.54) LTB4RACACA
SCHEMBL7831703 0.76 CYSLTR1 (0.64) LTB4RMAPTRXFP1
SCHEMBL8649122 0.76 CYSLTR1 (0.64) LTB4RMAPTRXFP1
SCHEMBL21848546 0.75 ACACA (0.48) ACACAMAPT
SCHEMBL29082868 0.75 ATM (0.51) LTB4RACACA
SCHEMBL8987018 0.74 LTB4R (0.57) LTB4RACACAMAPTRXFP1PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed