SCHEMBL11119254

SCHEMBL11119254

O=C1CCC(c2ccc(CCCN3CCCC3)s2)=NN1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ PDE3B Q13370 4/20 0.35
▸ PDE3A Q14432 4/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL10646470 0.96 HRH3 (0.53) HRH3SMN1; SMN2GPR119MAOAMAOB
SCHEMBL10650307 0.95 HRH3 (0.52) HRH3SMN1; SMN2GPR119MAOAMAOB
SCHEMBL10648034 0.93 HRH3 (0.50) HRH3SMN1; SMN2GPR119PARP1PDE3B
SCHEMBL10650433 0.85 HRH3 (0.46) HRH3SMN1; SMN2GPR119LMNANPY1R
SCHEMBL10648178 0.80 PDE3B (0.44) LMNAPDE3BPDE3A
SCHEMBL10806820 0.78 PDE3B (0.46) HRH3SMN1; SMN2LMNANPY1RNPY2R
SCHEMBL10645518 0.77 PDE3B (0.43) LMNAPDE3BPDE3A
SCHEMBL10926117 0.76 PDE3B (0.42) LMNAPDE3BPDE3A
SCHEMBL10977421 0.76 PDE3B (0.42) LMNAPDE3BPDE3A
SCHEMBL10922175 0.76 PDE3B (0.42) LMNAPDE3BPDE3A

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-0128502-A1 Substituted 6-(thien-2-yl)-3(2H)-pyridazinones and processes for their preparation A. Nattermann & Cie. GmbH (DE) 1984-12-19 — — EP disclosed
Send feedback