SCHEMBL2468085

SCHEMBL2468085

CCCN(O)S(=O)(=O)C(NC(=O)c1c(O)cccc1OC)C1(c2cccc(F)c2)CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.32
CCR3 P51677 1/20 0.31
BACE1 P56817 1/20 0.30
TSHR P16473 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
ITGB7 P26010 1/20 0.30
HCRTR1 O43613 1/20 0.30

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
SCHEMBL2471510 0.94 SOAT1 (0.34) SOAT1CCR3TSHRITGB1ITGA4
SCHEMBL2492124 0.88 SOAT1 (0.32) SOAT1CCR3TSHRITGB1ITGA4
SCHEMBL2469967 0.86 SOAT1 (0.35) SOAT1
SCHEMBL2497814 0.85 CCR8 (0.34) SOAT1CCR3ITGB1ITGA4ITGB7
SCHEMBL2471272 0.83 PNLIP (0.34) SOAT1TSHR
SCHEMBL2468487 0.81 ALDH1A1 (0.33) SOAT1CCR3ITGB1ITGA4ITGB7
SCHEMBL2470579 0.81 KMT2A (0.34) CCR3ITGB1ITGA4ITGB7
SCHEMBL2469411 0.81 SMN1; SMN2 (0.34) SOAT1CCR3ITGB1ITGA4ITGB7
SCHEMBL2469896 0.80 SLC6A9 (0.43) ITGB1ITGA4ITGB7
SCHEMBL2471159 0.79 SLC6A9 (0.36) ITGB1ITGA4ITGB7

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-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 US disclosed