SCHEMBL11090751

SCHEMBL11090751

CN1C(=O)CCc2cc(C3=NNC(=O)C4CC34)ccc21

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.65
PDE3A Q14432 2/20 0.65
CYP11B1 P15538 6/20 0.49
CYP11B2 P19099 6/20 0.49
CYP1A2 P05177 2/20 0.49
CYP17A1 P05093 1/20 0.49
CYP19A1 P11511 1/20 0.49
GPR119 Q8TDV5 5/20 0.45
HRH3 Q9Y5N1 7/20 0.43
ADRA2C P18825 2/20 0.42
SLC6A3 Q01959 2/20 0.42

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
SCHEMBL11093394 0.93 PDE3B (0.56) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11093035 0.91 PDE3B (0.65) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL10647530 0.89 PDE3B (0.51) PDE3BPDE3AGPR119HRH3ADRA2C
SCHEMBL11094366 0.88 PDE3B (0.62) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11084934 0.85 PDE3B (0.48) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11086404 0.85 CYP1A2 (0.52) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11092682 0.85 PDE3B (0.53) PDE3BPDE3AGPR119HRH3ADRA2C
SCHEMBL11084927 0.84 PDE3B (0.56) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11091984 0.83 PDE3B (0.55) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11089465 0.82 PDE3B (0.49) PDE3BPDE3AGPR119HRH3ADRA2C

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