SCHEMBL31539689

SCHEMBL31539689

Cc1c(F)cnc(C(F)(F)F)c1NC(=O)/C=C/c1ccc2cnn(C3CCCCO3)c2c1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.35
▸ CYP4A11 Q02928 2/20 0.35
▸ TRPV1 Q8NER1 4/20 0.33
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32

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
SCHEMBL31539833 0.92 CYP4F2 (0.33) CYP4F2CYP4A11TRPV1RXRARXRB
SCHEMBL31539693 0.87 CYP4F2 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31539725 0.85 RXRA (0.37) CYP4F2CYP4A11TRPV1RXRARXRB
SCHEMBL31539748 0.80 CYP4F2 (0.32) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31539764 0.79 RXRA (0.36) CYP4F2CYP4A11TRPV1RXRARXRB
SCHEMBL31539818 0.78 CYP4F2 (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31539783 0.78 RXRA (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31539749 0.77 CYP4F2 (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31539834 0.77 RXRA (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31539755 0.77 CYP4F2 (0.32) CYP4F2CYP4A11

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-2025052129-A1 PYRIDINE DERIVATIVES WHICH ACT AS INHIBITORS OF MPTP. NRG THERAPEUTICS LTD (GB) 2025-03-13 — — WO disclosed
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