SCHEMBL2598902

SCHEMBL2598902

c1ccc(-c2cccc3c2OCCC2CNC[C@H]32)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.43
TMEM97 Q5BJF2 3/20 0.43
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
HRH1 P35367 1/20 0.33
HTR6 P50406 1/20 0.32
UCHL1 P09936 1/20 0.32
USP30 Q70CQ3 1/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 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
SCHEMBL1802179 1.00 HTR2B (0.43) HTR2BTMEM97HTR1AHTR7SIGMAR1
SCHEMBL1802174 1.00 HTR2B (0.43) HTR2BTMEM97HTR1AHTR7SIGMAR1
SCHEMBL1802176 1.00 HTR2B (0.43) HTR2BTMEM97HTR1AHTR7SIGMAR1
SCHEMBL1805082 0.88 CDC7 (0.34) HTR2BTMEM97HTR1AHTR7SIGMAR1
SCHEMBL1802260 0.88 HTR2C (0.39) HTR2BTMEM97HTR1AHTR7SIGMAR1
SCHEMBL1802259 0.88 HTR2C (0.39) HTR2BTMEM97HTR1AHTR7SIGMAR1
SCHEMBL1805081 0.88 CDC7 (0.34) HTR2BTMEM97HTR1AHTR7SIGMAR1
SCHEMBL1805078 0.88 CDC7 (0.34) HTR2BTMEM97HTR1AHTR7SIGMAR1
SCHEMBL1802258 0.88 HTR2C (0.39) HTR2BTMEM97HTR1AHTR7SIGMAR1
SCHEMBL2598994 0.85 HTR1A (0.32) HTR2BTMEM97HTR1AHTR7SIGMAR1

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-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed