SCHEMBL8912787

SCHEMBL8912787

CN(CCCCCO)c1ccnc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.60
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
SYK P43405 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
MPO P05164 2/20 0.37
NCF1 P14598 1/20 0.37
PDE4B Q07343 1/20 0.36
PDE7A Q13946 1/20 0.36
MMP2 P08253 1/20 0.35
CHKA P35790 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL11751268 0.86 HRH3 (0.57) HRH3KMT2ALMNAMAPTHTR1A
SCHEMBL8907631 0.86 HRH3 (0.60) HRH3HTR1AADRA1DADRA1AADRA1B
SCHEMBL1695377 0.85 HRH3 (0.54) HRH3LMNAADRA1DSYKPOLB
SCHEMBL9652160 0.85 HRH3 (0.62) HRH3LMNASMN1; SMN2HTR1AADRA1D
SCHEMBL1695271 0.83 HRH3 (0.60) HRH3SLC2A1
SCHEMBL16596266 0.79 HRH3 (0.64) HRH3KMT2AKDM4EMAPTHTR1A
SCHEMBL8912322 0.79 HRH3 (0.45) HRH3KMT2AKDM4ELMNAMAPT
SCHEMBL15453257 0.75 HRH3 (0.56) HRH3MAPTSMN1; SMN2HTR1AADRA1D
SCHEMBL15453232 0.75 HRH3 (0.56) HRH3KDM4EMAPTHTR1AADRA1D
SCHEMBL30307401 0.73 HRH3 (0.53) HRH3KDM4ELMNAHTTSMN1; SMN2

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
WO-1997048705-A1 POTASSIUM CHANNEL BLOCKERS UNIVERSITY COLLEGE LONDON (GB) 1997-12-24 WO disclosed