SCHEMBL4908879

SCHEMBL4908879

CC1(C)Cc2cc(S(N)(=O)=O)cc(OCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2O1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.50
HTR2A P28223 2/20 0.48
HTR1A P08908 1/20 0.47
HTR2C P28335 1/20 0.47
HTR6 P50406 1/20 0.47
ABCB1 P08183 2/20 0.47
DRD2 P14416 2/20 0.46

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
SCHEMBL4752472 0.88 HTR1A (0.53) HTR7HTR2AHTR1AABCB1DRD2
SCHEMBL4750809 0.85 DRD2 (0.44) HTR7HTR2AHTR1AHTR2CABCB1
SCHEMBL4789463 0.83 PPARG (0.44) HTR7HTR2AHTR1AHTR2CHTR6
SCHEMBL4754290 0.83 HTR1A (0.50) HTR7HTR2AHTR1AABCB1DRD2
SCHEMBL4751067 0.80 HTR7 (0.47) HTR7HTR2AHTR1AABCB1DRD2
SCHEMBL4752410 0.80 HTR2A (0.49) HTR2AHTR1ADRD2
SCHEMBL4788339 0.76 KCNH2 (0.50) HTR2AABCB1
Hydrochloric Acid SCHEMBL4789017 0.74 KCNH2 (0.49) HTR2AABCB1
SCHEMBL4750506 0.73 AKT1 (0.36) HTR2A
SCHEMBL4754299 0.73 ADRA1A (0.41) HTR7HTR2AHTR1AHTR2CHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed