SCHEMBL7660976

SCHEMBL7660976

COC(=O)c1ccc(C=CCc2nccn2Cc2ccccc2)cc1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.45
HSP90B1 P14625 6/20 0.45
HSP90AB1 P08238 1/20 0.45
KCNA3 P22001 4/20 0.43
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
GRM2 Q14416 2/20 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
SCHEMBL7660971 1.00 HSP90AA1 (0.45) HSP90AA1HSP90B1HSP90AB1KCNA3SLC6A4
SCHEMBL7671975 0.90 AGTR1 (0.49) HSP90AA1HSP90B1KCNA3AGTR1AGTR2
SCHEMBL7671974 0.90 AGTR1 (0.49) HSP90AA1HSP90B1KCNA3AGTR1AGTR2
SCHEMBL7668237 0.85 SLC6A4 (0.42) HSP90AA1HSP90B1KCNA3SLC6A4SLC6A3
SCHEMBL7668232 0.85 SLC6A4 (0.42) HSP90AA1HSP90B1KCNA3SLC6A4SLC6A3
SCHEMBL7663134 0.84 SLC6A4 (0.41) HSP90AA1HSP90B1KCNA3SLC6A4SLC6A3
SCHEMBL7663143 0.84 SLC6A4 (0.41) HSP90AA1HSP90B1KCNA3SLC6A4SLC6A3
SCHEMBL7672485 0.82 FNTA (0.50)
SCHEMBL7672482 0.82 FNTA (0.50)
SCHEMBL7674887 0.76 NAMPT (0.39) KCNA3AGTR1AGTR2GRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6486156-B1 Chemical compounds ASTRAZENECA AB (SE) 2002-11-26 US disclosed
EP-1140858-A2 ARYLPROPENYLIMIDAZOLES AS FARNESYL-PROTEIN TRANSFERASE INHIBITORS AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2000039716-A2 ARYLPROPENYLIMIDAZOLES AS FARNESYL-PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA AB (SE) 2000-07-06 WO disclosed