SCHEMBL6068593

SCHEMBL6068593

Nc1cnn(CCN2CCCC2)c1N1CCC(O)C1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.40
SMPD3 Q9NY59 3/20 0.39

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
SCHEMBL6068366 0.85 SMPD3 (0.39) SMPD3
Bromide SCHEMBL6068466 0.84 SMPD3 (0.38) SMPD3
Bromide SCHEMBL6068862 0.84 SMPD3 (0.38) SMPD3
SCHEMBL6068715 0.79 CNR2 (0.38) SMPD3
SCHEMBL5439394 0.75 CYP3A4 (0.38) SIGMAR1SMPD3
SCHEMBL5423409 0.74 SIGMAR1 (0.51) SIGMAR1
SCHEMBL6068514 0.70 CYP3A4 (0.36) SMPD3
SCHEMBL21961008 0.69 MAP3K14 (0.40) SIGMAR1SMPD3
SCHEMBL5421834 0.69 CYP3A4 (0.35) SIGMAR1SMPD3
SCHEMBL14801000 0.68 PIM1 (0.51) SMPD3

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
US-7091350-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2006-08-15 US disclosed