SCHEMBL7309212

SCHEMBL7309212

O=c1ccc2cc(OCCCc3nnnn3Cc3ccccc3)ccc2n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
KCNA5 P22460 5/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 2/20 0.38
USP2 O75604 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PLA2G4A P47712 1/20 0.37
MEN1 O00255 1/20 0.36
PLA2G2A P14555 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL7317323 0.93 KCNA5 (0.45) PDE3BPDE3AKCNA5KMT2AALDH1A1
SCHEMBL7308692 0.89 KCNA5 (0.51) PDE3BPDE3AKCNA5KMT2AALDH1A1
SCHEMBL7312711 0.89 ALDH1A1 (0.42) PDE3BPDE3AKCNA5KMT2AALDH1A1
SCHEMBL7308523 0.88 PDE3B (0.43) PDE3BPDE3AKCNA5KMT2AALDH1A1
SCHEMBL7311363 0.86 KCNA5 (0.41) PDE3BPDE3AKCNA5KMT2AALDH1A1
SCHEMBL7318369 0.86 ALDH1A1 (0.43) PDE3BPDE3AKCNA5ALDH1A1KDM4E
SCHEMBL7311201 0.85 KMT2A (0.38) KCNA5KMT2AALDH1A1KDM4EMAPT
SCHEMBL7319555 0.84 PDE3B (0.54) PDE3BPDE3AKCNA5KMT2AALDH1A1
SCHEMBL7313419 0.80 PDE3B (0.48) PDE3BPDE3AKMT2AALDH1A1KDM4E
SCHEMBL7306355 0.77 KCNA5 (0.40) PDE3BPDE3AKCNA5KMT2AALDH1A1

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