SCHEMBL19752012

SCHEMBL19752012

Cc1ccc2c(n1)NCCC2C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
ALOX5 P09917 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32
CCR1 P32246 1/20 0.30
RAB9A P51151 1/20 0.30
CCR5 P51681 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30

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
SCHEMBL7923006 0.81 HTR2C (0.33) UHRF1PDK2PDK4HTR2AHTR2C
SCHEMBL12733902 0.81 UHRF1 (0.34) UHRF1PDK2PDK4ALOX5SLC6A2
SCHEMBL4201428 0.75
SCHEMBL28293248 0.74
SCHEMBL17771334 0.73 HTR2A (0.39) PDK2SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL7925225 0.68 CCR1 (0.33) PDK2PDK4CCR1RAB9ACCR5
SCHEMBL6845116 0.68 DRD2 (0.38) PDK2PDK4CCR1RAB9ACCR5
SCHEMBL10238794 0.68 DRD2 (0.38) PDK2PDK4CCR1RAB9ACCR5
SCHEMBL12654064 0.68 KDM1A (0.52)
SCHEMBL20153299 0.67 UHRF1 (0.40) UHRF1ALOX5CCR1RAB9ACCR5

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-2488513-B1 2,6-Diaminopyridine compounds for treating diseases associated with amyloid proteins or for treating ocular diseases AC IMMUNE SA (CH) 2017-12-27 EP disclosed