SCHEMBL7313232

SCHEMBL7313232

CN(C)CCOc1ccc(Cl)c(C=O)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
PDE5A O76074 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE1C Q14123 1/20 0.42
HTR7 P34969 3/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL7303826 0.85 KDM4E (0.48) ADRB2ADRB1KDM4EALDH1A1KMT2A
SCHEMBL19155300 0.79 ADRB2 (0.56) ADRB2ADRB1KDM4EALDH1A1MEN1
SCHEMBL7313229 0.77 KDM4E (0.44) ADRB2ADRB1KDM4EALDH1A1MEN1
SCHEMBL18824230 0.76 LMNA (0.54) ADRB2ADRB1KDM4EALDH1A1MEN1
SCHEMBL6206097 0.76 ALDH1A1 (0.50) ADRB2ADRB1KDM4EALDH1A1MEN1
SCHEMBL7280924 0.75 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30304134 0.74 KDM4E (0.56) ADRB2ADRB1KDM4EALDH1A1MEN1
SCHEMBL29189171 0.74 KDM4E (0.56) ADRB2ADRB1KDM4EALDH1A1MEN1
SCHEMBL327061 0.73 ALDH1A1 (0.45) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL2524984 0.73 TSHR (0.48) KDM4EALDH1A1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
US-5578623-A DRUGS FOR TREATMENT OF ARTHRITIS, PANCREATITIS, CYSTIC FIBROSIS, BRONCHITIS, RESPIRATORY DISORDERS STERLING WINTHROP INC. (US) 1996-11-26 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed