SCHEMBL11079653

SCHEMBL11079653

CCCN1C(=O)CCc2cc(C3=NNC(=O)C4CCC34)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
PDE4A P27815 10/20 0.44
PDE4B Q07343 10/20 0.44
PDE4C Q08493 10/20 0.44
PDE4D Q08499 10/20 0.44
CYP11B1 P15538 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP11B2 P19099 1/20 0.43
GPR119 Q8TDV5 2/20 0.40
ATAD2 Q6PL18 1/20 0.39
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36

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
SCHEMBL11085857 0.96 PDE4A (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11084934 0.92 PDE3B (0.48) PDE3BPDE3ACYP11B1CYP1A2CYP11B2
SCHEMBL11088177 0.90 BMPR1B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11087392 0.87 CYP1A2 (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11090645 0.86 PDE4A (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11093035 0.85 PDE3B (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11086404 0.83 CYP1A2 (0.52) PDE3BPDE3ACYP11B1CYP1A2CYP11B2
SCHEMBL11090936 0.82 BMPR1B (0.47) PDE3BPDE3AGPR119BMPR1BBMPR1A
SCHEMBL11090062 0.81 PDE4A (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11094366 0.81 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4474785-A HYPOTENSIVE AGENTS, ANTICOAGULANTS BASF AKTIENGESELLSCHAFT (DE) 1984-10-02 US disclosed