SCHEMBL7311899

SCHEMBL7311899

O=C1CCc2cccc(OCCCc3nnnn3C3CCCCCCC3)c2N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.62
PDE3A Q14432 6/20 0.62
TSHR P16473 4/20 0.62
ALDH1A1 P00352 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ABCC4 O15439 1/20 0.62
CACNA1F O60840 1/20 0.62
ABCB11 O95342 1/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
CYP2C9 P11712 1/20 0.62
MAPK1 P28482 1/20 0.62
THPO P40225 1/20 0.62
OPRK1 P41145 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62

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
SCHEMBL7317714 1.00 PDE3B (0.62) PDE3BPDE3ATSHRALDH1A1SMN1; SMN2
SCHEMBL19899422 0.97 PDE3B (0.66) PDE3BPDE3ATSHRALDH1A1SMN1; SMN2
SCHEMBL7318018 0.85 PDE3B (0.62) PDE3BPDE3ATSHRALDH1A1SMN1; SMN2
SCHEMBL7310717 0.84 PDE3B (0.61) PDE3BPDE3ATSHRALDH1A1SMN1; SMN2
SCHEMBL7317785 0.80 P2RX4 (0.41) PDE3BPDE3ATSHRALDH1A1SMN1; SMN2
SCHEMBL7318751 0.79 PDE3B (0.81) PDE3BPDE3ATSHRALDH1A1SMN1; SMN2
SCHEMBL7307973 0.79 PDE3B (0.94) PDE3BPDE3ATSHRALDH1A1SMN1; SMN2
SCHEMBL7317014 0.79 MAOA (0.41) PDE3BPDE3ATSHRALDH1A1SMN1; SMN2
SCHEMBL7317051 0.77 PDE3B (0.50) PDE3BPDE3ATSHRALDH1A1SMN1; SMN2
Cilostazol SCHEMBL1818013 0.77 PDE3B (1.00) PDE3BPDE3ATSHRALDH1A1SMN1; SMN2

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