SCHEMBL11080207

SCHEMBL11080207

CN1C(=O)Cc2cc(C3=NNC(=O)C4CCCC34)ccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.53
PDE4B Q07343 7/20 0.53
PDE4C Q08493 7/20 0.53
PDE4D Q08499 7/20 0.53
PDE3B Q13370 3/20 0.49
PDE3A Q14432 3/20 0.49
ACVRL1 P37023 8/20 0.47
ACVR1 Q04771 8/20 0.47
BMPR1A P36894 7/20 0.47
BMPR1B O00238 6/20 0.47
TGFBR1 P36897 3/20 0.47
TRIM24 O15164 1/20 0.46
GPR119 Q8TDV5 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
SCHEMBL10645730 0.95 PDE3B (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11094366 0.90 PDE3B (0.62) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11091984 0.89 PDE3B (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10647530 0.88 PDE3B (0.51) PDE3BPDE3AACVRL1ACVR1BMPR1A
SCHEMBL11086764 0.87 PDE3B (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11090645 0.86 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11094260 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11084927 0.85 PDE3B (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11093035 0.85 PDE3B (0.65) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11094425 0.83 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B

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