SCHEMBL31292024

SCHEMBL31292024

CC(C)(C)N(C(=O)O)C1CCN(CC(F)(F)F)C1=O.NC1CCN(CC(F)(F)F)C1=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP7 Q9UHL4 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
SCHEMBL19170192 0.79 CYP3A4 (0.44) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL15578261 0.79 CYP3A4 (0.44) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL15194610 0.79 CYP3A4 (0.44) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL19136824 0.77 CYP3A4 (0.42) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL19136827 0.77 CYP3A4 (0.42) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL31292033 0.76 CYP3A4 (0.36) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL5171227 0.73 CNR1 (0.35) —
SCHEMBL23637268 0.70 CYP3A4 (0.37) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL19170248 0.70 CYP3A4 (0.37) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL31291944 0.70 SSTR4 (0.31) —

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-2025030117-A1 FERROPTOSIS INDUCERS ARPEGGIO BIOSCIENCES, INC. (US) 2025-02-06 — — WO disclosed
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