SCHEMBL11199795

SCHEMBL11199795

c1cn2nc(N3CCCCCC3)c3c(c2n1)CCCC3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.36
SMPD3 Q9NY59 1/20 0.36
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
CHRM3 P20309 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HPGD P15428 3/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL10963152 1.00 SYK (0.36) SYKSMPD3JAK2JAK3CHRM3
SCHEMBL10917458 0.98 SMPD3 (0.36) SYKSMPD3JAK2JAK3CHRM3
SCHEMBL10919711 0.87 HTT (0.42) JAK2JAK3HPGDALDH1A1GAA
SCHEMBL11111106 0.86 HTR3E (0.41)
SCHEMBL10918062 0.84 KMT2A (0.39) SYKHPGDALDH1A1HTTKDM4E
SCHEMBL10965000 0.75 ALDH1A1 (0.40) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL10967664 0.75 ALDH1A1 (0.40) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL8553896 0.73 HPGD (0.31) HPGD
SCHEMBL10963072 0.73 ALDH1A1 (0.41) HPGDALDH1A1GAANPSR1USP2
SCHEMBL10916033 0.73 SMPD3 (0.35) SMPD3

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-4391807-A 6-Substituted tetrahydroimidazo[2,1-a]phthalazines and use as bronchodilators THE DOW CHEMICAL COMPANY (US) 1983-07-05 US disclosed