SCHEMBL11083063

SCHEMBL11083063

CC1CCc2cc(C3=NN(C)C(=O)C4CC34)ccc2N(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
PDE3B Q13370 4/20 0.43
PDE3A Q14432 4/20 0.43
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
CYP11B1 P15538 6/20 0.35
CYP11B2 P19099 6/20 0.35
CYP1A2 P05177 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32

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
SCHEMBL11090491 0.92 PDE4A (0.49) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL11083726 0.90 PDE4A (0.53) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL11092766 0.88 MAPT (0.49) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL11087147 0.85 PDE3B (0.54) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL11082375 0.84 PDE3B (0.47) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL11086020 0.82 PDE3B (0.43) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL11080906 0.81 PDE4A (0.50) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL11091160 0.81 TRIM24 (0.48) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL11083382 0.80 PDE4A (0.54) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL11088397 0.79 HRH3 (0.44) HRH3PDE3BPDE3APDE4APDE4B

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