SCHEMBL10518697

SCHEMBL10518697

CC1CC(=O)NN=C1c1ccc2nc(N3CCN(C)CC3)[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 9/20 0.62
▸ PDE3A Q14432 9/20 0.62
▸ ABCB11 O95342 1/20 0.58
▸ MAOA P21397 1/20 0.58
▸ ADORA2A P29274 1/20 0.58
▸ F10 P00742 1/20 0.56
▸ GPR119 Q8TDV5 8/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47

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
SCHEMBL10518681 0.92 PDE3B (0.62) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10517966 0.92 GPR119 (0.62) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10519090 0.91 GPR119 (0.64) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10517769 0.88 PDE3B (0.55) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10517959 0.83 GPR119 (0.59) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10519085 0.82 GPR119 (0.61) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10518157 0.82 GPR119 (0.61) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10519857 0.80 GPR119 (0.62) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10518321 0.80 PDE3B (0.64) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10517762 0.80 GPR119 (0.51) PDE3BPDE3AABCB11MAOAADORA2A

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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