SCHEMBL9489656

SCHEMBL9489656

COc1ccc2c(c1)CCCC2N(O)C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.47
HSD17B10 Q99714 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
CHRNA7 P36544 1/20 0.44

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
SCHEMBL9597703 0.92 SLC6A9 (0.46)
SCHEMBL9488548 0.88 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2
SCHEMBL9492876 0.88 FFAR1 (0.45)
SCHEMBL9597741 0.85 PPARD (0.47)
SCHEMBL9597206 0.85 PPARD (0.43)
SCHEMBL9490649 0.84 P2RX3 (0.49)
SCHEMBL9536363 0.82 ACHE (0.51)
SCHEMBL9597708 0.81 PPARD (0.41)
SCHEMBL17754016 0.81 HTR6 (0.47) HTR6TAS1R3TAS1R1TAS1R2
SCHEMBL19658615 0.81 HTR6 (0.47) HTR6TAS1R3TAS1R1TAS1R2

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-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP claimed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO claimed
EP-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP disclosed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO disclosed