SCHEMBL2945928

SCHEMBL2945928

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CN1CCNCCNCCNCC1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.81
GNAI3 P08754 6/20 0.42
GNAO1 P09471 6/20 0.42
GNAI1 P63096 6/20 0.42
CHRM5 P08912 2/20 0.40
CHRM3 P20309 2/20 0.40
BCHE P06276 2/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL7376521 0.97 SIGMAR1 (0.85) SIGMAR1GNAI3GNAO1GNAI1CHRM5
SCHEMBL11697620 0.85 SIGMAR1 (0.88) SIGMAR1GNAI3GNAO1GNAI1CHRM5
SCHEMBL29001307 0.82 SIGMAR1 (0.59) SIGMAR1GNAI3GNAO1GNAI1BCHE
SCHEMBL15505725 0.81 SIGMAR1 (0.57) SIGMAR1BCHE
SCHEMBL16269336 0.81 SIGMAR1 (0.57) SIGMAR1BCHE
SCHEMBL2957913 0.81 SIGMAR1 (0.57) SIGMAR1BCHE
Hydrochloric Acid SCHEMBL5547297 0.80 SIGMAR1 (0.56) SIGMAR1BCHE
SCHEMBL23940316 0.79 SIGMAR1 (0.56) SIGMAR1GNAI3GNAO1GNAI1BCHE
SCHEMBL19032657 0.79 SIGMAR1 (0.56) SIGMAR1GNAI3GNAO1GNAI1BCHE
SCHEMBL23426277 0.79 SIGMAR1 (0.56) SIGMAR1GNAI3GNAO1GNAI1BCHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749485-B2 Liposomal assembly for therapeutic and/or diagnostic use BRACCO RESEARCH S.A. (CH) 2010-07-06 US disclosed
US-20070196284-A1 Liposomal assembly for therapeutic and/or diagnostic use BRACCO RESEARCH S.A. (CH) 2007-08-23 US disclosed
EP-1153029-A2 AMPHIPATIC POLYCARBOXYLIC CHELATES AND COMPLEXES WITH PARAMAGNETIC METALS AS MRI CONTRAST AGENTS BRACCO INTERNATIONAL B.V. (NL) 2001-11-14 EP disclosed
WO-2000030688-A2 AMPHIPATIC POLYCARBOXYLIC CHELATES AND COMPLEXES WITH PARAMAGNETIC METALS AS MRI CONTRAST AGENTS BRACCO INTERNATIONAL B.V. (NL) 2000-06-02 WO disclosed