SCHEMBL20201878

SCHEMBL20201878

CCN(CC)c1cc(C(C)C)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.40
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CASR P41180 1/20 0.36
LATS1 O95835 1/20 0.35
LATS2 Q9NRM7 1/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
TYR P14679 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL18503025 0.85 CRHR1 (0.43) CRHR1HSP90AA1HSP90AB1CASR
SCHEMBL20376205 0.84 HSP90AA1 (0.37) CRHR1HSP90AA1HSP90AB1LMNAKDM4E
SCHEMBL20004340 0.79 LMNA (0.38) CRHR1HSP90AA1HSP90AB1LMNATYR
SCHEMBL20201877 0.77 CRHR1 (0.35) CRHR1HSP90AA1HSP90AB1CASRLMNA
SCHEMBL19726453 0.76 CRHR1 (0.42) CRHR1HSP90AA1HSP90AB1BCHEACHE
SCHEMBL12889911 0.76 CRHR1 (0.43) CRHR1HSP90AA1HSP90AB1CASRLMNA
SCHEMBL20201656 0.75 AKR1B1 (0.44) CRHR1LATS1LATS2LMNAKDM4E
SCHEMBL12015800 0.74 CRHR1 (0.42) CRHR1HSP90AA1HSP90AB1CASR
SCHEMBL12774279 0.74 CRHR1 (0.37) CRHR1HSP90AA1HSP90AB1CASRLMNA
SCHEMBL24170751 0.73 CRHR1 (0.38) CRHR1HSP90AA1HSP90AB1LMNAKDM4E

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
WO-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed