SCHEMBL8994956

SCHEMBL8994956

COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCCl

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.72
LTB4R2 Q9NPC1 1/20 0.64
PRSS1 P07477 3/20 0.52
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
MAOB P27338 2/20 0.49
TSHR P16473 1/20 0.48
BCL2L1 Q07817 2/20 0.47
REN P00797 4/20 0.47
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
HTR2A P28223 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
HTR2B P41595 2/20 0.47
KCNH2 Q12809 2/20 0.47
SMPD1 P17405 1/20 0.46

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
SCHEMBL8203909 0.90 LTB4R (0.69) LTB4RLTB4R2PRSS1THRATHRB
SCHEMBL8074983 0.89 LTB4R (0.67) LTB4RLTB4R2PRSS1THRATHRB
SCHEMBL6138115 0.86 LTB4R (0.74) LTB4RLTB4R2TSHRBCL2L1REN
SCHEMBL8994928 0.86 LTB4R (0.84) LTB4RLTB4R2PRSS1THRATHRB
SCHEMBL8748091 0.84 LTB4R (0.74) LTB4RLTB4R2PRSS1THRATHRB
Moxilubant SCHEMBL6439215 0.84 LTB4R (1.00) LTB4RLTB4R2PRSS1HTR2AADRA1A
SCHEMBL8747939 0.84 LTB4R (0.74) LTB4RLTB4R2PRSS1THRATHRB
Moxilubant SCHEMBL29388138 0.84 LTB4R (1.00) LTB4RLTB4R2PRSS1HTR2AADRA1A
Moxilubant SCHEMBL8994884 0.83 LTB4R (0.98) LTB4RLTB4R2PRSS1HTR2AADRA1A
SCHEMBL8748088 0.83 LTB4R (0.72) LTB4RLTB4R2PRSS1THRATHRB

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