SCHEMBL26050994

SCHEMBL26050994

N#Cc1cccc(CNC(=O)N[C@@H]2CC3(C(F)(F)F)CC2C3)c1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 16/20 0.35
▸ PPIA P62937 1/20 0.34
▸ CFD P00746 1/20 0.34
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ EPHX2 P34913 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
SCHEMBL30580183 0.78 P2RX7 (0.35) P2RX7CFDGRIN1GRIN2AEPHX2
SCHEMBL25370780 0.78 P2RX7 (0.35) P2RX7CFDGRIN1GRIN2AEPHX2
SCHEMBL26050634 0.78 MAOA (0.43) —
SCHEMBL26051687 0.76 EPHX2 (0.36) P2RX7CFDEPHX2
SCHEMBL26052184 0.72 SMN1; SMN2 (0.38) —
SCHEMBL26051696 0.72 SMN1; SMN2 (0.38) —
SCHEMBL26052062 0.72 EPHX2 (0.36) EPHX2
SCHEMBL26051685 0.70 ALDH1A1 (0.36) P2RX7CFDGRIN1GRIN2A
SCHEMBL28803365 0.70 CFD (0.39) P2RX7CFDGRIN1GRIN2A
SCHEMBL26051600 0.70 EPHX2 (0.36) EPHX2

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-2023158584-A1 NEW BICYCLOPENTANE DERIVATIVES ICAGEN, LLC (US) 2023-08-24 — — WO disclosed
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