SCHEMBL9844541

SCHEMBL9844541

NCCCCCC(N)C1(N)CCC(N)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.30
CPB2 Q96IY4 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
SCHEMBL28373347 1.00 DPP7 (0.30) DPP7CPB2
SCHEMBL3116149 0.87
SCHEMBL11611798 0.81
SCHEMBL7065566 0.71 SIGMAR1 (0.34) DPP7
SCHEMBL9844538 0.68 DNM1 (0.53)
SCHEMBL28527994 0.66 DPP7 (0.31) DPP7
SCHEMBL11081442 0.66 DNM1 (0.48)
SCHEMBL7037240 0.65 GRIN2D (0.35)
Diaminooctane SCHEMBL6868378 0.64 SIGMAR1 (0.54)
Diaminooctane SCHEMBL6865074 0.62 SIGMAR1 (0.58)

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-0431547-A2 Charge transfer salts and uses thereof International Business Machines Corporation (US) 1991-06-12 EP disclosed