SCHEMBL30224944

SCHEMBL30224944

CC1(C)OB([C@H]2C[C@@H]2c2ccc(OC(F)(F)F)nc2)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.33
CHRNA7 P36544 1/20 0.31

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
SCHEMBL30224727 0.83 CHRNA7 (0.38) CHRNA7
SCHEMBL30224580 0.81 HRH3 (0.38) CHRNA7
SCHEMBL30181555 0.81 KDM1A (0.40) LIPE
SCHEMBL25004560 0.81 KDM1A (0.40) LIPE
SCHEMBL23993928 0.81 KDM1A (0.40) LIPE
SCHEMBL23994512 0.81 KDM1A (0.40) LIPE
SCHEMBL23994458 0.78 CHRNB2 (0.47) CHRNA7
SCHEMBL30181803 0.78 CHRNB2 (0.47) CHRNA7
SCHEMBL25004997 0.78 CHRNB2 (0.47) CHRNA7
SCHEMBL30224216 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed