SCHEMBL8540662

SCHEMBL8540662

CCOc1ccccc1OC(CNC(C)Cc1cc(C#N)c2c(c1)CCN2)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
CASR P41180 3/20 0.32
ADRA1D P25100 6/20 0.32
ADRA1A P35348 6/20 0.32
ADRA1B P35368 6/20 0.32
ADRB2 P07550 5/20 0.32
KCNH2 Q12809 4/20 0.32
ADRA2A P08913 3/20 0.32
ADRA2B P18089 3/20 0.32
ADRA2C P18825 3/20 0.32
HTR1A P08908 2/20 0.32
DRD2 P14416 2/20 0.32
HTR7 P34969 2/20 0.32
OPRM1 P35372 2/20 0.32
DRD3 P35462 2/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP2D6 P10635 3/20 0.31

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
SCHEMBL8541286 0.88 ADRA1D (0.41) ADRB1ADRB3ADRA1DADRA1AADRA1B
SCHEMBL8539009 0.84 LMNA (0.40) ADRB1ADRB3ADRA1DADRA1AADRA1B
SCHEMBL8539068 0.83 ADRA1D (0.38) ADRB1ADRB3ADRA1DADRA1AADRA1B
SCHEMBL8540605 0.82 ADRA1D (0.39) ADRB1ADRB3ADRA1DADRA1AADRA1B
SCHEMBL7902965 0.80 ADRA1D (0.49) ADRA1DADRA1AADRA1BADRB2KCNH2
SCHEMBL8539078 0.79 MAPT (0.35) ADRA1DADRA1AADRA1BADRB2KCNH2
SCHEMBL8540655 0.77 ALDH1A1 (0.32) RXFP1ALDH1A1
SCHEMBL8544341 0.74 ADRA1D (0.47) ADRA1DADRA1AADRA1BADRB2KCNH2
SCHEMBL8537726 0.73 ADRA1D (0.58) ADRA1DADRA1AADRA1BADRB2KCNH2
SCHEMBL8539470 0.72 ADRA1D (0.47) ADRA1DADRA1AADRA1BADRB2KCNH2

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