SCHEMBL8436152

SCHEMBL8436152

Cc1ccnc(OCC2CCNC2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 1/20 0.48
KDM1A O60341 5/20 0.45
KCNH2 Q12809 2/20 0.45
RCOR1 Q9UKL0 1/20 0.45
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
CDC42BPB Q9Y5S2 2/20 0.42
CDC42BPA Q5VT25 1/20 0.42
CHRM3 P20309 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
IRAK4 Q9NWZ3 4/20 0.42
BRD4 O60885 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
Hydrochloric Acid SCHEMBL8440542 0.99 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KDM1AKCNH2
SCHEMBL15086907 0.83 UHRF1 (0.45) KDM1A
SCHEMBL16453454 0.80 KDM4E (0.44) KDM1AIRAK4
SCHEMBL16453504 0.79 KDM4E (0.46)
SCHEMBL17136283 0.78 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KDM1AKCNH2
SCHEMBL4828300 0.77 CHRNB2 (0.46) KCNH2ROCK2ROCK1CHRNB2CHRNA4
SCHEMBL8277614 0.77 GRM4 (0.42) IRAK4
SCHEMBL427054 0.75 HRH3 (0.44) SLC6A4
SCHEMBL24176193 0.75 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3KDM1AKCNH2
SCHEMBL17277362 0.75 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3KDM1AKCNH2

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-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US disclosed