SCHEMBL8566430

SCHEMBL8566430

CCCCCC(C)(C#N)CCCCCOc1cc(OCc2ccccc2)c(Br)cc1CC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.51
LTB4R Q15722 4/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PTPN1 P18031 3/20 0.36
LTB4R2 Q9NPC1 3/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
SGMS2 Q8NHU3 1/20 0.35
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL9074308 0.94 NR1H4 (0.46) NR1H4PTPN1
SCHEMBL8560737 0.89 NR1H4 (0.53) NR1H4LTB4RPTPN1LTB4R2SGMS2
SCHEMBL6759095 0.88 NR1H4 (0.52) NR1H4LTB4RPTPN1LTB4R2SGMS2
SCHEMBL8560924 0.84 NR1H4 (0.46) NR1H4
SCHEMBL8651806 0.84 NR1H4 (0.54) NR1H4LTB4RALDH1A1HPGDLTB4R2
SCHEMBL8568129 0.83 NR1H4 (0.47) NR1H4LTB4RLTB4R2
SCHEMBL6762521 0.80 NR1H4 (0.44) NR1H4PTPN1
SCHEMBL6897555 0.80 NR1H4 (0.50) NR1H4PTPN1HTR2AHTR2C
SCHEMBL6899274 0.79 NR1H4 (0.48) NR1H4PTPN1HTR2AHTR2C
SCHEMBL661396 0.78 HTR1A (0.46) PTPN1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544488-B1 Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1998-03-11 EP disclosed
WO-1996036347-A1 USE OF LEUKOTRIENE ANTAGONISTS FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-11-21 WO disclosed
EP-0743064-A1 Leukotriene antagonists for use in the treatment or prevention of alzheimer's disease ELI LILLY AND COMPANY (US) 1996-11-20 EP disclosed
US-5462954-A Antiinflammatory, antiallergens; treating asthma ELI LILLY AND COMPANY (US) 1995-10-31 US disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP disclosed