SCHEMBL8520212

SCHEMBL8520212

CN1CCNCCNCCNCCNCCNCC1c1cccc(-c2ccccn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.46
CCR5 P51681 3/20 0.46
CCR8 P51685 3/20 0.46
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 2/20 0.46
ALOX15 P16050 2/20 0.46
TP53 P04637 1/20 0.46
ALPL P05186 1/20 0.46
HSP90AA1 P07900 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR7 P34969 2/20 0.43
HTR1A P08908 1/20 0.43
PLD1 Q13393 1/20 0.39
METAP1 P53582 2/20 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
SCHEMBL2900748 0.85 PLD1 (0.42) KDM4EL3MBTL1ALOX15HTR7HTR1A
Dipyridyl SCHEMBL9720335 0.78 HTR7 (0.46) CCR1CCR5CCR8KDM4EL3MBTL1
SCHEMBL5345232 0.77 HTR2C (0.33) HTR2AHTR2C
SCHEMBL30983619 0.73 HRH3 (0.47) MAPK1HTR2AHTR2C
SCHEMBL6017212 0.73 KDM4E (0.47) KDM4ELMNAALOX15TP53MAPK1
SCHEMBL8520211 0.69 CXCR4 (0.59) CCR1CCR5CCR8KDM4EL3MBTL1
SCHEMBL25036829 0.69 CXCR4 (0.40) HTR2AHTR2C
SCHEMBL8145269 0.68 SIGMAR1 (0.48) L3MBTL1ALOX15TP53TDP1HTR7
Terpyridine SCHEMBL30610403 0.68 KDM4E (0.90) CCR1CCR5CCR8KDM4EL3MBTL1
Dipyridyl SCHEMBL29189121 0.68 KDM4E (0.70) CCR1CCR5CCR8KDM4EL3MBTL1

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-5874587-A FLUORESCENCE THE ROCKEFELLER UNIVERSITY (US) 1999-02-23 US disclosed