SCHEMBL30005999

SCHEMBL30005999

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MOGAT2 Q3SYC2 1/20 0.34
▸ AR P10275 8/20 0.32
▸ PGR P06401 1/20 0.31
▸ NR3C2 P08235 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
SCHEMBL23647912 1.00 MOGAT2 (0.34) MOGAT2ARPGRNR3C2
SCHEMBL23658907 0.85 AR (0.31) AR
SCHEMBL30006242 0.85 AR (0.31) AR
SCHEMBL23658636 0.83 AKR1B1 (0.32) MOGAT2
SCHEMBL23647745 0.81 — —
SCHEMBL23658835 0.81 KMT2A (0.35) MOGAT2PGR
SCHEMBL30005861 0.78 MTNR1A (0.31) —
SCHEMBL23658906 0.78 MTNR1A (0.31) —
SCHEMBL24767197 0.75 — —
SCHEMBL21624366 0.71 MOGAT2 (0.43) MOGAT2AR

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-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 — — EP disclosed
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