SCHEMBL11625496

SCHEMBL11625496

CC1CC(=O)NN=C1c1ccc(C#N)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.66
▸ PDE3B Q13370 15/20 0.62
▸ PDE3A Q14432 15/20 0.62
▸ TNNC1 P63316 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ PDE4A P27815 3/20 0.56
▸ PDE4B Q07343 3/20 0.56
▸ PDE4C Q08493 3/20 0.56
▸ PDE4D Q08499 3/20 0.56
▸ HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL10353457 0.87 PDE3B (0.71) PDE3BPDE3ATNNC1PDE4APDE4B
SCHEMBL5679278 0.87 PDE3B (0.55) GPR119PDE3BPDE3ATNNC1KDM4E
SCHEMBL5679287 0.87 PDE3B (0.55) GPR119PDE3BPDE3ATNNC1KDM4E
SCHEMBL11171307 0.86 GPR119 (0.53) GPR119PDE3BPDE3ATNNC1KDM4E
SCHEMBL11626983 0.83 GPR119 (0.72) GPR119PDE3BPDE3ATNNC1PDE4A
SCHEMBL5679283 0.83 PDE3B (0.62) GPR119PDE3BPDE3ATNNC1KDM4E
SCHEMBL11171310 0.82 PDE3B (0.61) GPR119PDE3BPDE3ATNNC1KDM4E
SCHEMBL11159048 0.82 PDE3B (0.63) GPR119PDE3BPDE3ATNNC1KDM4E
SCHEMBL8342501 0.81 PDE3B (0.64) PDE3BPDE3ATNNC1PDE4APDE4B
SCHEMBL22317993 0.81 PDE3B (0.64) PDE3BPDE3ATNNC1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4117130-A 6-PHENYL-1,2,4-TRIAZOLO(4,3-B)PYRIDAZINES AMERICAN CYANAMID COMPANY (US) 1978-09-26 — — US disclosed
US-4112095-A 6-Phenyl-1,2,4-triazolo[4,3-b]pyridazine hypotensive agents AMERICAN CYANAMID COMPANY (US) 1978-09-05 — — US disclosed
US-4092311-A Hypotensive alkyl-3-[6-(aryl)-3-pyridazinyl]-carbazates AMERICAN CYANAMID COMPANY (US) 1978-05-30 — — US disclosed
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