SCHEMBL20171577

SCHEMBL20171577

CCCC(C)c1ccc(CN2CCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
CXCR4 P61073 12/20 0.51
HRH3 Q9Y5N1 2/20 0.51
MEN1 O00255 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
ADRA2C P18825 1/20 0.51
CCR2 P41597 1/20 0.51
CXCL12 P48061 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTR6 P50406 1/20 0.42
CRBN Q96SW2 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL12017823 0.88 SIGMAR1 (0.54) SIGMAR1CXCR4HRH3MEN1CHRM2
SCHEMBL18538136 0.86 CXCR4 (0.57) SIGMAR1CXCR4HRH3MEN1CHRM2
SCHEMBL14274074 0.86 CXCR4 (0.57) SIGMAR1CXCR4HRH3MEN1CHRM2
SCHEMBL24170803 0.83 LMNA (0.54) SIGMAR1HRH3ALDH1A1HTTSMN1; SMN2
SCHEMBL12015808 0.82 SIGMAR1 (0.59) SIGMAR1CXCR4HRH3MEN1CHRM2
SCHEMBL24170702 0.82 HRH3 (0.56) HRH3MEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL29206910 0.81 CXCR4 (0.60) SIGMAR1CXCR4HRH3MEN1CHRM2
SCHEMBL25110359 0.81 ALDH1A1 (0.48) SIGMAR1HRH3MEN1KMT2AALDH1A1
SCHEMBL13898160 0.80 CXCR4 (0.50) SIGMAR1CXCR4HRH3MEN1CHRM2
SCHEMBL28208297 0.80 SIGMAR1 (0.56) SIGMAR1CXCR4HRH3MEN1CHRM2

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-2619184-B1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2018-05-23 EP disclosed