SCHEMBL11064667

SCHEMBL11064667

O=C1CCc2cc(OCCCC(=O)N3CCC(CCc4ccccc4)CC3)ccc2N1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.63
MAOB P27338 10/20 0.63
PDE3B Q13370 4/20 0.51
PDE3A Q14432 4/20 0.51
OGT O15294 1/20 0.47
HTR1A P08908 2/20 0.47
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
SLC6A4 P31645 2/20 0.47
HTR7 P34969 2/20 0.47
DRD3 P35462 2/20 0.47
DRD4 P21917 1/20 0.47
KDM1A O60341 1/20 0.46

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
SCHEMBL11063106 0.91 MAOA (0.61) MAOAMAOBPDE3BPDE3AOGT
SCHEMBL11064423 0.85 MAOA (0.56) MAOAMAOBPDE3BPDE3AHTR1A
SCHEMBL11058875 0.84 MAOA (0.65) MAOAMAOBPDE3BPDE3AHTR1A
SCHEMBL11065270 0.84 MAOA (0.65) MAOAMAOBPDE3BPDE3AHTR1A
SCHEMBL11062029 0.83 MAOA (0.55) MAOAMAOBPDE3BPDE3AHTR1A
Ethylbenzene SCHEMBL11064674 0.82 MAOA (0.59) MAOAMAOBPDE3BPDE3AHTR1A
SCHEMBL11067768 0.82 PDE3B (0.63) MAOAMAOBPDE3BPDE3AHTR1A
SCHEMBL11068252 0.82 DRD2 (0.62) MAOAMAOBPDE3BPDE3AHTR1A
SCHEMBL11062067 0.79 DRD2 (0.64) MAOAMAOBPDE3BPDE3AHTR1A
Ethylbenzene SCHEMBL11065281 0.79 MAOA (0.57) MAOAMAOBPDE3BPDE3AHTR1A

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