SCHEMBL11093035

SCHEMBL11093035

CN1C(=O)CCc2cc(C3=NNC(=O)C4CCC34)ccc21

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.65
PDE3A Q14432 2/20 0.65
CYP11B1 P15538 9/20 0.49
CYP11B2 P19099 8/20 0.49
CYP1A2 P05177 2/20 0.49
CYP17A1 P05093 1/20 0.49
CYP19A1 P11511 1/20 0.49
PDE4A P27815 7/20 0.48
PDE4B Q07343 7/20 0.48
PDE4C Q08493 7/20 0.48
PDE4D Q08499 7/20 0.48
GPR119 Q8TDV5 2/20 0.43

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
SCHEMBL11094366 0.95 PDE3B (0.62) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11084927 0.93 PDE3B (0.56) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11090751 0.91 PDE3B (0.65) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11091984 0.90 PDE3B (0.55) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL10645730 0.89 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11079653 0.85 PDE3B (0.48) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11092270 0.85 PDE3B (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11090330 0.85 PDE3B (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11080207 0.85 PDE4A (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11093394 0.84 PDE3B (0.56) PDE3BPDE3ACYP11B1CYP11B2CYP1A2

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