SCHEMBL23658636

SCHEMBL23658636

CC1(C)Nc2c3c(cc(F)c2NC1=O)OCC3

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.32
▸ AKR1B10 O60218 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ AKR1A1 P14550 1/20 0.32
▸ MOGAT2 Q3SYC2 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
SCHEMBL23658835 0.84 KMT2A (0.35) MOGAT2
SCHEMBL23658637 0.83 — —
SCHEMBL23647912 0.83 MOGAT2 (0.34) MOGAT2
SCHEMBL30005999 0.83 MOGAT2 (0.34) MOGAT2
SCHEMBL23658731 0.74 MOGAT2 (0.32) MOGAT2
SCHEMBL24767199 0.73 — —
SCHEMBL23647846 0.68 — —
SCHEMBL23658907 0.67 AR (0.31) —
SCHEMBL30006242 0.67 AR (0.31) —
SCHEMBL23658836 0.67 — —

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
WO-2021144439-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-07-22 — — WO disclosed
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