SCHEMBL7862790

SCHEMBL7862790

CC(C)CNCC(O)Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GAA P10253 1/20 0.41
SLC6A4 P31645 1/20 0.41
DNM1 Q05193 3/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ACACB O00763 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7864502 0.84 TAAR1 (0.48) SLC6A2SLC6A3GAASLC6A4MAPT
SCHEMBL7115349 0.82 ANPEP (0.48) SLC6A2SLC6A3SLC6A4KMT2AMEN1
Hydrochloric Acid SCHEMBL7864363 0.79 SLC6A2 (0.47) SLC6A2SLC6A3GAASLC6A4HPGD
SCHEMBL9481333 0.77 SLC6A4 (0.58) SLC6A2SLC6A3SLC6A4
SCHEMBL6566603 0.76 GAA (0.56) SLC6A2SLC6A3GAADNM1KMT2A
SCHEMBL10585879 0.74 SLC6A2 (0.52) SLC6A2SLC6A3GAASLC6A4HPGD
SCHEMBL15178160 0.74 SLC6A2 (0.52) SLC6A2SLC6A3GAASLC6A4HPGD
SCHEMBL4161150 0.73 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4ACACBKMT2A
SCHEMBL4158699 0.73 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4ACACBKMT2A
SCHEMBL2424315 0.73 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4ACACBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO disclosed