SCHEMBL8540604

SCHEMBL8540604

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 8/20 0.35
ADRA1A P35348 8/20 0.35
ADRA1B P35368 8/20 0.35
ADRB2 P07550 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
PTGS1 P23219 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR7 P34969 1/20 0.35
HRH1 P35367 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL8539005 0.92 LMNA (0.41) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL8539073 0.91 ADRA1D (0.35) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL8539076 0.87 MAPT (0.36) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL8539065 0.86 ADRA1D (0.35) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL8540655 0.82 ALDH1A1 (0.32) AR
SCHEMBL20228715 0.81 ADRA1D (0.54) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL20228716 0.81 ADRA1D (0.54) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL8544336 0.80 ADRA1D (0.44) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL20228858 0.79 ADRA1D (0.47) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL8540605 0.79 ADRA1D (0.39) 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