SCHEMBL7809126

SCHEMBL7809126

CCOC(=O)C1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCCCC1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.84
NR3C2 P08235 3/20 0.39
OPRM1 P35372 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRM5 P41594 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL7811046 0.99 ALOX5 (0.86) ALOX5NR3C2OPRM1LMNATSHR
SCHEMBL7815037 0.92 ALOX5 (1.00) ALOX5
SCHEMBL7802468 0.90 ALOX5 (0.84) ALOX5NR3C2GRM5CYP1A2CYP3A4
SCHEMBL7802752 0.89 ALOX5 (0.85) ALOX5NR3C2GRM5CYP1A2CYP3A4
SCHEMBL7810991 0.82 ALOX5 (0.57) ALOX5OPRM1LMNATSHRNPSR1
SCHEMBL7811849 0.82 ALOX5 (0.81) ALOX5NR3C2GRM5CYP1A2CYP3A4
SCHEMBL8408934 0.82 ALOX5 (0.60) ALOX5NR3C2GRM5CYP1A2CYP3A4
SCHEMBL7807535 0.82 ALOX5 (0.87) ALOX5
SCHEMBL7811973 0.82 ALOX5 (1.00) ALOX5
SCHEMBL7811102 0.81 ALOX5 (0.58) ALOX5OPRM1LMNATSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787127-B1 5-LIPOXYGENASE INHIBITORS PFIZER (US) 2001-01-03 EP disclosed
US-6063928-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, CARDIOTONIC AGENTS PFIZER INC (US) 2000-05-16 US disclosed
EP-0787127-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1997-08-06 EP disclosed
WO-1996011911-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1996-04-25 WO disclosed