SCHEMBL10383108

SCHEMBL10383108

CC1CC(=O)NN=C1c1c[nH]c2ccc(-n3ccnc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 14/20 0.64
▸ PDE3A Q14432 14/20 0.64
▸ PDE4A P27815 2/20 0.64
▸ PDE4B Q07343 2/20 0.64
▸ PDE4C Q08493 2/20 0.64
▸ PDE4D Q08499 2/20 0.64
▸ PDE2A O00408 1/20 0.50
▸ CRBN Q96SW2 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTR1D P28221 3/20 0.40
▸ TBXAS1 P24557 1/20 0.39
▸ FBP1 P09467 1/20 0.39
▸ HTR1B P28222 1/20 0.38

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
SCHEMBL10381776 0.79 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
Ci-930 SCHEMBL6052113 0.78 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
Ci-930 SCHEMBL10657390 0.77 PDE3B (0.98) PDE3BPDE3APDE4APDE4BPDE4C
Motapizone SCHEMBL385669 0.75 PDE3B (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10374774 0.74 PBRM1 (0.49) PDE3BPDE3APDE4APDE4BPDE4C
Motapizone SCHEMBL10671058 0.74 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7395148 0.73 PDE3A (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10381897 0.73 GPR119 (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10554354 0.72 PDE3A (0.61) PDE3BPDE3APDE4APDE4BPDE4C
Ci-930 SCHEMBL10994723 0.71 PDE3B (0.83) PDE3BPDE3APDE4APDE4BPDE4C

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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