SCHEMBL10517769

SCHEMBL10517769

CC(=O)N1CCN(c2nc3ccc(C4=NNC(=O)CC4C)cc3[nH]2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 9/20 0.55
▸ PDE3A Q14432 9/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ MAOA P21397 1/20 0.55
▸ ADORA2A P29274 1/20 0.55
▸ GPR119 Q8TDV5 7/20 0.53
▸ F10 P00742 1/20 0.52
▸ NAMPT P43490 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ GFER P55789 1/20 0.46

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
SCHEMBL10517762 0.92 GPR119 (0.51) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10518697 0.88 PDE3B (0.62) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10517966 0.88 GPR119 (0.62) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10519090 0.87 GPR119 (0.64) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10518681 0.80 PDE3B (0.62) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10517959 0.80 GPR119 (0.59) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10518157 0.79 GPR119 (0.61) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10519085 0.79 GPR119 (0.61) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL16156986 0.79 PDE3B (0.72) PDE3BPDE3AGPR119KDM4EALDH1A1
SCHEMBL16156994 0.79 PDE3B (0.72) PDE3BPDE3AGPR119KDM4EALDH1A1

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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