SCHEMBL4607694

SCHEMBL4607694

CC1(C)OB(c2ccc(CCNC(=O)C(F)(F)F)cc2)OC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.57
F2 P00734 2/20 0.57
PRSS1 P07477 2/20 0.57
PRSS2 P07478 2/20 0.57
PRSS3 P35030 2/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA9 Q16790 3/20 0.57
LIPG Q9Y5X9 7/20 0.52
LPL P06858 6/20 0.52
CXCR2 P25025 1/20 0.40
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39

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
SCHEMBL15252314 0.86 CA1 (0.55) F11F2PRSS1PRSS2PRSS3
SCHEMBL1684672 0.83 CA1 (0.61) F11F2PRSS1PRSS2PRSS3
SCHEMBL1141383 0.80 CA2 (0.55) F11F2PRSS1PRSS2PRSS3
SCHEMBL8289771 0.76 CA1 (0.53) F11F2PRSS1PRSS2PRSS3
SCHEMBL4914268 0.76 F2 (0.52) F11F2PRSS1PRSS2PRSS3
SCHEMBL9888401 0.76 LIPG (0.58) F11F2PRSS1PRSS2PRSS3
SCHEMBL16899331 0.75 CA1 (0.71) CA1CA2CA9
SCHEMBL14141265 0.75 NPC1 (0.59) CA1CA2CA9CA12
SCHEMBL26000408 0.75 LPL (0.67) F11F2PRSS1PRSS2PRSS3
SCHEMBL15585542 0.75 CA2 (0.50) F11F2PRSS1PRSS2PRSS3

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-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 EP disclosed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 US disclosed