SCHEMBL10381897

SCHEMBL10381897

CC1CC(=O)NN=C1c1c[nH]c2ccc(Oc3cccnc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.44
▸ PDE3A Q14432 11/20 0.38
▸ PDE4B Q07343 7/20 0.38
▸ PDE3B Q13370 7/20 0.38
▸ PDE4D Q08499 4/20 0.38
▸ PDE4A P27815 3/20 0.38
▸ PDE4C Q08493 3/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PBRM1 Q86U86 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ METAP2 P50579 1/20 0.36

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
SCHEMBL10381890 0.80 GPR119 (0.53) GPR119PDE3APDE4BPDE3BPDE4D
SCHEMBL10374774 0.76 PBRM1 (0.49) GPR119PDE3APDE4BPDE3BPDE4D
SCHEMBL10383108 0.73 PDE3B (0.64) PDE3APDE4BPDE3BPDE4DPDE4A
SCHEMBL2539105 0.68 ALDH1A1 (0.58) LMNATDP1
SCHEMBL10368590 0.67 PDE3A (0.60) GPR119PDE3APDE4BPDE3BPDE4D
SCHEMBL10381784 0.67 GPR119 (0.46) GPR119PDE3APDE3BLMNATDP1
SCHEMBL10381883 0.67 PDE3B (0.57) GPR119PDE3APDE4BPDE3BPDE4D
SCHEMBL10553008 0.66 PDE3B (0.57) PDE3APDE4BPDE3BPDE4DPDE4A
SCHEMBL9210783 0.66 LMNA (0.48) LMNATDP1METAP2
SCHEMBL10518557 0.66 PDE3B (0.51) GPR119PDE3APDE4BPDE3BPDE4D

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-1990001479-A1 4,5-DIHYDRO-3(2H)-PYRIDAZINONES, PROCESS FOR PRODUCING THEM AND THEIR USE CASSELLA AKTIENGESELLSCHAFT (DE) 1990-02-22 — — WO disclosed
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