SCHEMBL11323274

SCHEMBL11323274

CCN1C(=O)CCc2cc(C3=NNC(=O)CC3CO)ccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.55
▸ PDE3A Q14432 5/20 0.55
▸ CYP1A2 P05177 1/20 0.49
▸ CYP11B1 P15538 1/20 0.49
▸ CYP11B2 P19099 1/20 0.49
▸ ATAD2 Q6PL18 1/20 0.46
▸ GPR119 Q8TDV5 12/20 0.41
▸ PDE2A O00408 1/20 0.40
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 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
SCHEMBL11324287 0.92 PDE3B (0.57) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL11328012 0.87 PDE3B (0.72) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL11333317 0.86 PDE3B (0.50) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL11315739 0.86 PDE3B (0.74) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL11086404 0.78 CYP1A2 (0.52) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL11087392 0.76 CYP1A2 (0.50) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL11325987 0.76 PDE3B (0.69) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL11316667 0.74 PDE3B (0.65) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL11326531 0.74 PDE3B (0.53) PDE3BPDE3AGPR119PDE2APDE4A
SCHEMBL11324327 0.73 PDE3B (0.61) PDE3BPDE3ACYP1A2CYP11B1CYP11B2

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
US-4258185-A HYPOTENSIVE, ANTITHROMBOTIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1981-03-24 — — US claimed
US-4258185-A HYPOTENSIVE, ANTITHROMBOTIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1981-03-24 — — US disclosed
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