SCHEMBL16769232

SCHEMBL16769232

CCCC(=O)N1CCN(C(=O)CCCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.60
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.45
NR2F2 P24468 1/20 0.45
RAB9A P51151 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13799649 0.94 SIGMAR1 (0.65) SIGMAR1TDP1MEN1KMT2AGAA
SCHEMBL23775760 0.89 SIGMAR1 (0.63) SIGMAR1TDP1MEN1KMT2AGAA
SCHEMBL17742668 0.84 SIGMAR1 (0.58) SIGMAR1TDP1MEN1KMT2AGAA
SCHEMBL9354347 0.84 SIGMAR1 (0.56) SIGMAR1TDP1MEN1KMT2AGAA
SCHEMBL4422293 0.84 SIGMAR1 (0.55) SIGMAR1TDP1MEN1KMT2AGAA
SCHEMBL1929294 0.83 NR2F2 (0.60) SIGMAR1TDP1MEN1KMT2AALDH1A1
SCHEMBL1930614 0.83 NR2F2 (0.60) SIGMAR1TDP1MEN1KMT2AALDH1A1
SCHEMBL28329409 0.82 SIGMAR1 (0.54) SIGMAR1TDP1MEN1KMT2AGAA
SCHEMBL25148116 0.82 SIGMAR1 (0.53) SIGMAR1TDP1ALDH1A1NR2F2RAB9A
SCHEMBL13369184 0.81 SIGMAR1 (0.55) SIGMAR1TDP1MEN1KMT2AGAA

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-9044478-B2 Use of 1,4-bis (3-aminoalkyl) piperazine derivatives in the treatment of neurodegenerative diseases INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2015-06-02 US disclosed