SCHEMBL8560197

SCHEMBL8560197

CCc1cc(-c2ccc(F)cc2)c(OCc2ccccc2)cc1OCCCOc1ccccc1CC(C)(C)C#N

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 19/20 0.50
LTB4R2 Q9NPC1 17/20 0.50
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL6759116 0.89 NR1H4 (0.47) LTB4RLTB4R2NR1H4
SCHEMBL6758945 0.88 NR1H4 (0.49) LTB4RLTB4R2NR1H4
SCHEMBL8566998 0.85 LTB4R (0.56) LTB4RLTB4R2
SCHEMBL8566196 0.84 LTB4R (0.45) LTB4RLTB4R2
SCHEMBL6756183 0.84 LTB4R (0.48) LTB4RLTB4R2
SCHEMBL8568129 0.82 NR1H4 (0.47) LTB4RLTB4R2NR1H4
SCHEMBL6757622 0.82 NR1H4 (0.51) LTB4RLTB4R2NR1H4
SCHEMBL6902570 0.81 LTB4R (0.52) LTB4RLTB4R2NR1H4
SCHEMBL8568257 0.81 NR1H4 (0.52) LTB4RLTB4R2NR1H4
SCHEMBL8565022 0.81 LTB4R (0.47) LTB4RLTB4R2NR1H4

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