SCHEMBL18538136

SCHEMBL18538136

CCC(C)c1ccc(CN2CCNCCNCCNCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 12/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
ADRA2C P18825 1/20 0.57
CCR2 P41597 1/20 0.57
CXCL12 P48061 1/20 0.57
BLM P54132 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
SIGMAR1 Q99720 1/20 0.53
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR6 P50406 1/20 0.43

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
SCHEMBL14274074 1.00 CXCR4 (0.57) CXCR4MEN1KMT2ACHRM2CHRM1
SCHEMBL12017823 0.98 SIGMAR1 (0.54) CXCR4MEN1KMT2ACHRM2CHRM1
SCHEMBL13898160 0.93 CXCR4 (0.50) CXCR4MEN1KMT2ACHRM2CHRM1
SCHEMBL20171577 0.86 SIGMAR1 (0.51) CXCR4MEN1KMT2ACHRM2CHRM1
SCHEMBL10178474 0.83 HRH3 (0.59) MEN1KMT2AHRH3ALDH1A1
SCHEMBL12015808 0.83 SIGMAR1 (0.59) CXCR4MEN1KMT2ACHRM2CHRM1
SCHEMBL10178419 0.82 HRH3 (0.62) MEN1KMT2AHRH3ALDH1A1
Hydrochloric Acid SCHEMBL29206910 0.82 CXCR4 (0.60) CXCR4MEN1KMT2ACHRM2CHRM1
SCHEMBL1259387 0.81 CXCR4 (0.81) CXCR4MEN1KMT2ACHRM2CHRM1
SCHEMBL12017826 0.81 LMNA (0.57) HRH3SIGMAR1ALDH1A1TP53HTT

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-20170051084-A1 FILTERING MATERIAL, FILTRATION FILTER, AND FILTRATION METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2017-02-23 US disclosed