SCHEMBL8539005

SCHEMBL8539005

CCOc1ccccc1OCCN(C(=O)OC(C)(C)C)C(C)Cc1cc(C#N)c2c(c1)CCN2C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
TP53 P04637 3/20 0.37
MAPT P10636 5/20 0.35
ADRA1D P25100 5/20 0.33
ADRA1A P35348 5/20 0.33
ADRA1B P35368 5/20 0.33
ADRB2 P07550 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
PTGS1 P23219 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR7 P34969 1/20 0.32
HRH1 P35367 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL8539073 0.93 ADRA1D (0.35) LMNATP53MAPTADRA1DADRA1A
SCHEMBL8540604 0.92 ADRA1D (0.35) LMNATP53MAPTADRA1DADRA1A
SCHEMBL8539076 0.88 MAPT (0.36) LMNATP53MAPTADRA1DADRA1A
SCHEMBL8539065 0.88 ADRA1D (0.35) LMNAMAPTADRA1DADRA1AADRA1B
SCHEMBL8544336 0.87 ADRA1D (0.44) LMNAADRA1DADRA1AADRA1BADRB2
SCHEMBL8540655 0.83 ALDH1A1 (0.32) AR
SCHEMBL8544016 0.80 ADRA1D (0.51) TP53ADRA1DADRA1AADRA1BADRB2
SCHEMBL8537908 0.80 ADRA1D (0.42) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL8537095 0.80 ADRA1D (0.51) LMNAADRA1DADRA1AADRA1BADRB2
SCHEMBL20228716 0.80 ADRA1D (0.54) ADRA1DADRA1AADRA1BADRB2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600675-B1 Indoline compounds for the treatment of dysuria KISSEI PHARMACEUTICAL (JP) 1998-07-08 EP disclosed
US-5387603-A Treating dysuria (painful urination) with less hypotension; FDA Orange book listed patent for silodosin KISSEI PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
EP-0600675-A1 Indoline compounds for the treatment of dysuria Kissei Pharmaceutical Co., Ltd. (JP) 1994-06-08 EP disclosed