SCHEMBL1128451

SCHEMBL1128451

CCC(C)(C(=O)O)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.37
GNAI3 P08754 2/20 0.36
GNAO1 P09471 2/20 0.36
GNAI1 P63096 2/20 0.36
HRH4 Q9H3N8 2/20 0.33
HPGD P15428 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CHKA P35790 1/20 0.31
KMT2A Q03164 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31

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
SCHEMBL28605719 0.86 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1
SCHEMBL2578522 0.84 GNAI3 (0.43) SIGMAR1GNAI3GNAO1GNAI1HPGD
SCHEMBL665673 0.83 SIGMAR1 (0.36) SIGMAR1GNAI3GNAO1GNAI1HPGD
SCHEMBL7525549 0.80 GNAI3 (0.33) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL4745377 0.77 CA2 (0.38) SIGMAR1HRH4HPGDCHRM5CHRM3
SCHEMBL18788763 0.77 HSD11B1 (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2PKM
SCHEMBL9990034 0.76 SIGMAR1 (0.36) SIGMAR1GNAI3GNAO1GNAI1HPGD
Hydrochloric Acid SCHEMBL25387507 0.75 HPGD (0.40) SIGMAR1GNAI3GNAO1GNAI1HPGD
SCHEMBL8537023 0.74 TSHR (0.35) ALDH1A1
SCHEMBL18284700 0.74 KMT2A (0.40) SIGMAR1KMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2282724-A2 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES The University Of British Columbia (CA) 2011-02-16 EP disclosed
WO-2009141738-A2 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2009-11-26 WO disclosed