SCHEMBL8130002

SCHEMBL8130002

N#Cc1ccc2c(c1)C(c1cccc[n+]1[O-])=CC(CF)(CF)O2

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.53
ABCC8 Q09428 2/20 0.53
KCNJ11 Q14654 2/20 0.53
KCNJ8 Q15842 2/20 0.53
OPRD1 P41143 1/20 0.31

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
SCHEMBL8138801 0.83 ABCC9 (0.35) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6369348 0.83 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8OPRD1
SCHEMBL9524977 0.82 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8OPRD1
SCHEMBL8123191 0.81 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8OPRD1
SCHEMBL8133381 0.80 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8122964 0.80 ABCC9 (0.37) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8311739 0.79 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8OPRD1
SCHEMBL8130844 0.78 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8123176 0.76 GRM5 (0.39)
SCHEMBL8315809 0.72 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8OPRD1

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-0655448-B1 BENZOPYRAN AND BENZOXAZINE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2000-04-12 EP disclosed
US-5977167-A Benzopyran and benzoxazine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-11-02 US disclosed
US-5874446-A ANTIASTHMATICS, ANTIEPILEPSY AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-02-23 US disclosed
US-5614633-A POTASSIUM CHANNEL ACTIVATOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-03-25 US disclosed
EP-0655448-A1 BENZOPYRAN AND BENZOXAZINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-05-31 EP disclosed