SCHEMBL13588412

SCHEMBL13588412

CN(C(=O)C(C)(C)C)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.57

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
SCHEMBL14624134 0.83 CYP3A4 (0.55) CYP3A4
SCHEMBL13003259 0.82 CYP3A4 (0.53) CYP3A4
SCHEMBL14469248 0.82 CYP3A4 (0.61) CYP3A4
SCHEMBL8230524 0.82 CYP3A4 (0.61) CYP3A4
SCHEMBL13003871 0.80 CYP3A4 (0.57) CYP3A4
SCHEMBL8231191 0.79 CYP3A4 (0.53) CYP3A4
SCHEMBL18985960 0.79 TBK1 (0.60) CYP3A4
SCHEMBL13391706 0.79 CYP3A4 (0.63) CYP3A4
SCHEMBL14456965 0.79 CYP3A4 (0.52) CYP3A4
SCHEMBL13003546 0.79 CYP3A4 (0.52) CYP3A4

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-1902046-B1 PIPERIDINE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORP (US) 2009-12-02 — — EP disclosed
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