SCHEMBL8994902

SCHEMBL8994902

CCC(=O)N=C(N)c1ccc(OCCCCCOc2ccc(C(=O)N(C(C)C)C(C)C)cc2OC)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.72
LTB4R2 Q9NPC1 1/20 0.66
PLA2G4B P0C869 1/20 0.46
PRSS1 P07477 3/20 0.45
MAPT P10636 2/20 0.43
CYP3A4 P08684 2/20 0.42
ADRB2 P07550 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD3 P35462 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
SCHEMBL8994895 1.00 LTB4R (0.72) LTB4RLTB4R2PLA2G4BPRSS1MAPT
SCHEMBL8994891 0.90 LTB4R (0.75) LTB4RLTB4R2PLA2G4BPRSS1MAPT
SCHEMBL8994930 0.90 LTB4R (0.75) LTB4RLTB4R2PLA2G4BPRSS1MAPT
SCHEMBL8994880 0.90 LTB4R (0.74) LTB4RLTB4R2PLA2G4BPRSS1MAPT
SCHEMBL8747955 0.88 LTB4R (0.78) LTB4RLTB4R2PLA2G4BPRSS1MAPT
SCHEMBL8747956 0.88 LTB4R (0.78) LTB4RLTB4R2PLA2G4BPRSS1MAPT
SCHEMBL8748241 0.88 LTB4R (0.78) LTB4RLTB4R2PLA2G4BPRSS1MAPT
SCHEMBL8748238 0.88 LTB4R (0.78) LTB4RLTB4R2PLA2G4BPRSS1MAPT
SCHEMBL8994848 0.88 LTB4R (0.53) LTB4RLTB4R2PLA2G4BMAPTTSHR
SCHEMBL8994846 0.88 LTB4R (0.53) LTB4RLTB4R2PLA2G4BMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed