SCHEMBL11087147

SCHEMBL11087147

CN1N=C(c2ccc3c(c2)CCC(=O)N3C)C2CC2C1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
CYP11B1 P15538 14/20 0.50
CYP11B2 P19099 14/20 0.50
CYP1A2 P05177 2/20 0.50
CYP17A1 P05093 1/20 0.50
CYP19A1 P11511 1/20 0.50
HRH3 Q9Y5N1 3/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40

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
SCHEMBL11082375 0.94 PDE3B (0.47) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11083094 0.90 PDE3B (0.54) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11091160 0.89 TRIM24 (0.48) PDE3BPDE3AHRH3PDE4APDE4B
SCHEMBL11092463 0.88 PDE4A (0.55) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11083063 0.85 HRH3 (0.43) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11086020 0.85 PDE3B (0.43) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11094108 0.84 PDE4A (0.53) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11080911 0.83 PDE4A (0.55) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11092766 0.82 MAPT (0.49) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11085060 0.80 HRH3 (0.41) 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