SCHEMBL18324641

SCHEMBL18324641

CCCN(C)C(CC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.44
HRH1 P35367 4/20 0.44
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
AOC3 Q16853 4/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
KCNH2 Q12809 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
TSHR P16473 1/20 0.39
ADRA2B P18089 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 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
SCHEMBL27752922 0.85 KCNH2 (0.50) HTR2AHRH1TRPM8KCNH2SIGMAR1
SCHEMBL11451801 0.85 KCNH2 (0.50) HTR2AHRH1TRPM8KCNH2SIGMAR1
Bromide SCHEMBL27753188 0.84 KCNH2 (0.49) HTR2AHRH1TRPM8KCNH2SIGMAR1
Bromide SCHEMBL27732806 0.84 KCNH2 (0.49) HTR2AHRH1TRPM8KCNH2SIGMAR1
Hydrochloric Acid SCHEMBL27732854 0.84 KCNH2 (0.49) HTR2AHRH1TDP1TRPM8KCNH2
Hydrochloric Acid SCHEMBL27732840 0.84 KCNH2 (0.49) HTR2AHRH1TDP1TRPM8KCNH2
SCHEMBL12126358 0.83 HTR2A (0.45) HTR2AHRH1LMNATDP1AOC3
SCHEMBL28279550 0.82 LMNA (0.43) HTR2AHRH1LMNATDP1AOC3
SCHEMBL17772997 0.80 L3MBTL1 (0.43) HTR2AHRH1LMNATDP1TRPM8
SCHEMBL10513477 0.79 HTR2A (0.47) HTR2AHRH1LMNATDP1AOC3

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-3106463-A1 SUBSTITUTED PYRAZOLO[1,5-]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-12-21 EP disclosed