SCHEMBL7814848

SCHEMBL7814848

Cc1nccn1Cc1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 1.00
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRD1 P41143 7/20 0.38
OPRK1 P41145 5/20 0.38
OPRM1 P35372 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
SCHEMBL7802439 0.92 ALOX5 (0.85) ALOX5LMNAL3MBTL1OPRD1OPRK1
SCHEMBL7808961 0.89 ALOX5 (0.80) ALOX5OPRD1OPRK1OPRM1
SCHEMBL332442 0.84 ALOX5 (1.00) ALOX5
SCHEMBL29405839 0.84 ALOX5 (1.00) ALOX5
Hydrochloric Acid SCHEMBL8173877 0.84 ALOX5 (0.98) ALOX5
SCHEMBL7809017 0.83 ALOX5 (1.00) ALOX5LMNAOPRD1OPRK1OPRM1
SCHEMBL6573790 0.81 ALOX5 (0.93) ALOX5
SCHEMBL14678487 0.79 ALOX5 (0.79) ALOX5
SCHEMBL332479 0.78 ALOX5 (0.65) ALOX5LMNA
SCHEMBL7656075 0.78 ALOX5 (0.69) ALOX5LMNA

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
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