SCHEMBL8562772

SCHEMBL8562772

CCc1cc(Br)c(OCc2ccccc2)cc1OCCCCCC(C#N)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.43
PTPN1 P18031 2/20 0.36
ABCB1 P08183 2/20 0.36
LMNA P02545 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL8567342 0.87 NR1H4 (0.39) NR1H4PTPN1ABCB1LMNACCR1
SCHEMBL9226094 0.86 NR1H4 (0.35) NR1H4PTPN1ABCB1LMNACCR1
SCHEMBL8564071 0.84 SGMS2 (0.41) NR1H4CCR1SGMS2
SCHEMBL8564707 0.83 LTB4R (0.43) NR1H4
SCHEMBL6762521 0.83 NR1H4 (0.44) NR1H4PTPN1LMNA
SCHEMBL6897555 0.81 NR1H4 (0.50) NR1H4PTPN1ABCB1LMNAHTR2A
SCHEMBL8560737 0.80 NR1H4 (0.53) NR1H4PTPN1ABCB1LMNACCR5
SCHEMBL6899274 0.79 NR1H4 (0.48) NR1H4PTPN1ABCB1LMNACCR5
SCHEMBL6759095 0.78 NR1H4 (0.52) NR1H4PTPN1ABCB1LMNACCR5
SCHEMBL6807773 0.78 NR1H4 (0.47) NR1H4PTPN1ABCB1LMNACCR5

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