SCHEMBL10552102

SCHEMBL10552102

CC1CC(=O)NN=C1c1ccnc(-n2c(=O)[nH]c(=O)[nH]c2=O)c1.CC1CC(=O)NN=C1c1cnc(-n2cnc3ccccc32)nc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 12/20 0.38
▸ PDE3A Q14432 12/20 0.38
▸ GPR119 Q8TDV5 5/20 0.37
▸ PDE2A O00408 2/20 0.37
▸ PDE1A P54750 1/20 0.37
▸ PDE1B Q01064 1/20 0.37
▸ PDE1C Q14123 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ ABCB11 O95342 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ GALR3 O60755 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL10688158 0.85 PDE3A (0.47) PDE3BPDE3AGPR119PDE2APDE1A
SCHEMBL10687147 0.83 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10552154 0.76 PDE3A (0.48) PDE3BPDE3AGPR119PDE2APDE1A
SCHEMBL10629606 0.73 PDE3B (0.62) PDE3BPDE3AGPR119PDE2APDE1A
SCHEMBL10549976 0.67 PDE3B (0.68) PDE3BPDE3APDE2APDE4APDE4B
SCHEMBL10553122 0.64 PDE3B (0.69) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL16157002 0.61 PDE3B (0.61) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL7296342 0.61 PDE3B (0.61) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL9781546 0.61 BRD4 (0.54) PDE3BPDE3AGPR119ABCB11MAOA
SCHEMBL7268042 0.60 PDE3B (0.49) PDE3BPDE3AGPR119PDE4APDE4B

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-4847251-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-07-11 — — US disclosed
Send feedback