SCHEMBL7308683

SCHEMBL7308683

O=c1ccc2cc(OCCCc3nnnn3CCC3CCCCC3)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.48
PDE3A Q14432 10/20 0.48
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 6/20 0.48
HSD17B10 Q99714 5/20 0.48
HPGD P15428 5/20 0.48
TSHR P16473 4/20 0.48
MEN1 O00255 3/20 0.48
BLM P54132 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
PMP22 Q01453 2/20 0.48
PDE5A O76074 1/20 0.48
PTAFR P25105 1/20 0.48
CYP2C19 P33261 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48
P2RY12 Q9H244 1/20 0.47

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
SCHEMBL7302908 0.91 PDE3B (0.53) PDE3BPDE3AALDH1A1KDM4EHSD17B10
SCHEMBL7315971 0.85 PDE3B (0.52) PDE3BPDE3AALDH1A1KDM4EHSD17B10
SCHEMBL7304090 0.84 KDM4E (0.43) PDE3BPDE3AALDH1A1KDM4EHSD17B10
SCHEMBL7313626 0.83 PDE3B (0.65) PDE3BPDE3AALDH1A1KDM4EHSD17B10
SCHEMBL7306060 0.83 PDE3B (0.65) PDE3BPDE3AALDH1A1KDM4EHSD17B10
SCHEMBL7318197 0.82 PDE3B (0.64) PDE3BPDE3AALDH1A1KDM4EHSD17B10
SCHEMBL7312406 0.82 PDE3B (0.43) PDE3BPDE3AALDH1A1KDM4EHSD17B10
SCHEMBL7303943 0.81 ALDH1A1 (0.53) PDE3BPDE3AALDH1A1KDM4EHSD17B10
SCHEMBL5811108 0.81 PDE3B (0.69) PDE3BPDE3AALDH1A1KDM4EHSD17B10
SCHEMBL7317196 0.81 PDE3B (0.61) PDE3BPDE3AALDH1A1KDM4EHSD17B10

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-4277479-A ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed