SCHEMBL7316133

SCHEMBL7316133

O=c1cc(OCCCc2nnnn2CC2CCCCC2)c2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.42
PDE3A Q14432 5/20 0.42
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 2/20 0.39
P2RY12 Q9H244 1/20 0.38
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ABCC4 O15439 1/20 0.37
CACNA1F O60840 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
THPO P40225 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL7316056 0.89 PDE3B (0.41) PDE3BPDE3AALDH1A1ALOX15P2RY12
SCHEMBL7307627 0.85 PDE3B (0.52) PDE3BPDE3AALDH1A1ALOX15P2RY12
SCHEMBL7311731 0.83 GRM5 (0.42) ALDH1A1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL7315971 0.80 PDE3B (0.52) PDE3BPDE3AALDH1A1P2RY12MEN1
SCHEMBL7302908 0.79 PDE3B (0.53) PDE3BPDE3AALDH1A1ALOX15P2RY12
SCHEMBL7315475 0.78 PKM (0.44) ALDH1A1P2RY12MEN1LMNAKMT2A
SCHEMBL7317051 0.73 PDE3B (0.50) PDE3BPDE3AALDH1A1ALOX15P2RY12
SCHEMBL7315341 0.71 PDE3B (0.71) PDE3BPDE3AALDH1A1P2RY12MEN1
SCHEMBL7312087 0.71 MCL1 (0.39) PDE3BPDE3AALDH1A1ALOX15MEN1
SCHEMBL7315852 0.70 PDE3B (0.54) PDE3BPDE3AALDH1A1ALOX15P2RY12

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