SCHEMBL10518941

SCHEMBL10518941

Cc1nccn1-c1nc2cc(C3=NNC(=O)CC3)ccc2o1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 14/20 0.61
▸ PDE3A Q14432 14/20 0.61
▸ GPR119 Q8TDV5 5/20 0.53
▸ PDE4A P27815 4/20 0.41
▸ PDE4B Q07343 4/20 0.41
▸ PDE4C Q08493 4/20 0.41
▸ PDE4D Q08499 4/20 0.41
▸ PDE2A O00408 2/20 0.40
▸ PDE1A P54750 1/20 0.40
▸ PDE1B Q01064 1/20 0.40
▸ PDE1C Q14123 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL10520589 0.81 GPR119 (0.56) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL7280962 0.77 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7304363 0.75 GPR119 (0.59) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL10920730 0.74 GPR119 (0.64) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL9687991 0.74 GPR119 (0.55) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL10519891 0.74 GPR119 (0.52) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL2584771 0.72 GPR119 (0.64) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL10520683 0.72 GPR119 (0.53) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL7306728 0.72 PDE3B (0.60) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL2592011 0.70 GPR119 (0.98) PDE3BPDE3AGPR119PDE4APDE4B

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-0196005-B1 PYRIDAZINONES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1989-12-20 — — EP disclosed
EP-0196005-A1 Pyridazinones, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1986-10-01 — — EP disclosed
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