SCHEMBL7315971

SCHEMBL7315971

O=c1ccc2ccc(OCCCc3nnnn3CC3CCCCCCC3)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.52
PDE3A Q14432 16/20 0.52
P2RY12 Q9H244 1/20 0.47
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
BLM P54132 2/20 0.45
PMP22 Q01453 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ABCC4 O15439 1/20 0.45
CACNA1F O60840 1/20 0.45
ABCB11 O95342 1/20 0.45
LMNA P02545 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
THPO P40225 1/20 0.45

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 0.94 PDE3B (0.53) PDE3BPDE3AP2RY12ALDH1A1MEN1
SCHEMBL7308683 0.85 PDE3B (0.48) PDE3BPDE3AP2RY12ALDH1A1MEN1
SCHEMBL7314968 0.84 PDE3B (0.65) PDE3BPDE3AP2RY12ALDH1A1MEN1
SCHEMBL7316056 0.82 PDE3B (0.41) PDE3BPDE3AP2RY12ALDH1A1MEN1
SCHEMBL12116424 0.82 PDE3B (0.69) PDE3BPDE3AP2RY12ALDH1A1MEN1
SCHEMBL7310975 0.81 PDE3B (0.68) PDE3BPDE3AP2RY12ALDH1A1MEN1
SCHEMBL7306732 0.80 PDE3B (0.46) PDE3BPDE3AP2RY12ALDH1A1MEN1
SCHEMBL7316133 0.80 PDE3B (0.42) PDE3BPDE3AP2RY12ALDH1A1MEN1
SCHEMBL7315341 0.79 PDE3B (0.71) PDE3BPDE3AP2RY12ALDH1A1MEN1
SCHEMBL7306060 0.79 PDE3B (0.65) PDE3BPDE3AP2RY12ALDH1A1MEN1

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