SCHEMBL13020835

SCHEMBL13020835

BN1CCN(C)C(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.33
▸ ACE P12821 3/20 0.31
▸ REN P00797 1/20 0.30

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
SCHEMBL13018743 1.00 ATM (0.33) ATMACEREN
SCHEMBL26252917 0.79 MMP2 (0.38) —
SCHEMBL25728480 0.78 CCR2 (0.38) ATMACEREN
SCHEMBL799809 0.78 CCR2 (0.38) ATMACEREN
SCHEMBL10125636 0.78 CCR2 (0.38) ATMACEREN
SCHEMBL25896568 0.77 — —
SCHEMBL7346021 0.77 — —
SCHEMBL12765090 0.77 — —
SCHEMBL27617063 0.75 AGTR2 (0.36) ATMACEREN
SCHEMBL15451884 0.73 CYP1A2 (0.45) ATM

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-2261234-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 — — EP disclosed
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