SCHEMBL4789463

SCHEMBL4789463

CC1(C)Cc2cc(S(N)(=O)=O)cc(OCCCN3CC=C(c4cccc(C(F)(F)F)c4)CC3)c2O1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
HTR7 P34969 2/20 0.44
CXCR1 P25024 1/20 0.39
PTGS2 P35354 1/20 0.38
HTR1A P08908 1/20 0.37
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
DRD2 P14416 1/20 0.34
HTR6 P50406 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
SLC6A4 P31645 1/20 0.34

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
Hydrochloric Acid SCHEMBL4895520 0.86 PPARG (0.43) PPARGPPARAHTR7CXCR1HTR1A
Hydrochloric Acid SCHEMBL4789652 0.84 HTR7 (0.42) PPARGPPARAHTR7CXCR1HTR1A
SCHEMBL4908879 0.83 HTR7 (0.50) HTR7HTR1AHTR2AHTR2CDRD2
SCHEMBL4750809 0.73 DRD2 (0.44) HTR7PTGS2HTR1AALDH1A1SMN1; SMN2
SCHEMBL4752472 0.73 HTR1A (0.53) HTR7HTR1AHTR2ADRD2
SCHEMBL4752410 0.72 HTR2A (0.49) HTR1AHTR2ADRD2
SCHEMBL4750506 0.70 AKT1 (0.36) ALDH1A1HTR2A
SCHEMBL6618898 0.70 HTR7 (0.58) PPARGPPARAHTR7HTR2CDRD2
SCHEMBL11269207 0.69 HTR7 (0.60) PPARGPPARAHTR7HTR2C
SCHEMBL11278195 0.68 HTR7 (0.55) PPARGPPARAHTR7HTR1AALDH1A1

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