SCHEMBL10648034

SCHEMBL10648034

O=C1CCC(c2ccc(CCN3CCCC3)s2)=NN1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GPR119 Q8TDV5 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDE3B Q13370 7/20 0.36
▸ PDE3A Q14432 7/20 0.36
▸ PDE2A O00408 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34

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
SCHEMBL11119254 0.93 HRH3 (0.54) HRH3SMN1; SMN2GPR119PDE3BPDE3A
SCHEMBL10646470 0.92 HRH3 (0.53) HRH3SMN1; SMN2GPR119
SCHEMBL10650307 0.91 HRH3 (0.52) HRH3SMN1; SMN2GPR119
SCHEMBL10650433 0.87 HRH3 (0.46) HRH3SMN1; SMN2GPR119TDP1L3MBTL1
SCHEMBL10646442 0.79 PDE3B (0.46) SMN1; SMN2PDE3BPDE3ACYP1A2CYP3A4
SCHEMBL10724467 0.77 PDE3B (0.47) HRH3SMN1; SMN2PDE3BPDE3APDE2A
SCHEMBL10650242 0.75 SMN1; SMN2 (0.41) HRH3SMN1; SMN2PDE3BPDE3APDE2A
SCHEMBL10648178 0.75 PDE3B (0.44) PDE3BPDE3ACYP1A2CYP3A4
SCHEMBL10648684 0.74 SMN1; SMN2 (0.43) SMN1; SMN2GPR119PDE3BPDE3APDE2A
SCHEMBL10645518 0.74 PDE3B (0.43) PDE3BPDE3ACYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0128502-B1 SUBSTITUTED 6-(THIEN-2-YL)-3(2H)-PYRIDAZINONES AND PROCESSES FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1988-08-31 — — EP disclosed
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
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