SCHEMBL11067768

SCHEMBL11067768

O=C1CCc2cc(OCCCC(=O)N3CCC(C4CCCCC4)CC3)ccc2N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.63
PDE3A Q14432 10/20 0.63
MEN1 O00255 1/20 0.52
ABCC4 O15439 1/20 0.52
CACNA1F O60840 1/20 0.52
ABCB11 O95342 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
THPO P40225 1/20 0.52
OPRK1 P41145 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
CACNA1D Q01668 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL11062559 0.89 PDE3B (0.61) PDE3BPDE3AMEN1ABCC4CACNA1F
SCHEMBL11063692 0.89 PDE3B (0.61) PDE3BPDE3AMEN1ABCC4CACNA1F
SCHEMBL11062211 0.86 PDE3B (0.58) PDE3BPDE3AMEN1ABCC4CACNA1F
SCHEMBL11064423 0.85 MAOA (0.56) PDE3BPDE3AMAOAMAOBALDH1A2
SCHEMBL11063106 0.83 MAOA (0.61) PDE3BPDE3AMAOAMAOBHTR1A
SCHEMBL11062029 0.82 MAOA (0.55) PDE3BPDE3AMEN1ABCC4CACNA1F
SCHEMBL11064667 0.82 MAOA (0.63) PDE3BPDE3AMAOAMAOBHTR1A
Ethylbenzene SCHEMBL11064674 0.81 MAOA (0.59) PDE3BPDE3ASMN1; SMN2MAOAMAOB
SCHEMBL11068252 0.80 DRD2 (0.62) PDE3BPDE3AMEN1ALDH1A1LMNA
SCHEMBL11058875 0.80 MAOA (0.65) PDE3BPDE3AMAOAMAOBHTR1A

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-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed