SCHEMBL4752984

SCHEMBL4752984

CC1(C)Cc2cc(S(N)(=O)=O)cc(OCCCN3CCC(n4cnc5ccc(F)cc54)CC3)c2O1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
MAPK10 P53779 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
DRD2 P14416 2/20 0.35
SLC6A4 P31645 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
HTR2A P28223 1/20 0.34
HTR6 P50406 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
SCHEMBL4754018 0.95 LMNA (0.41) ALDH1A1LMNAMAPK10KDM4EUSP2
SCHEMBL4786661 0.80 KDM4E (0.40) ALDH1A1LMNAKDM4EDRD2SLC6A4
SCHEMBL4750809 0.78 DRD2 (0.44) ALDH1A1LMNAKDM4EHTR1AHTR7
SCHEMBL4750506 0.71 AKT1 (0.36) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL4752472 0.70 HTR1A (0.53) HTR1AHTR7DRD2HTR2A
SCHEMBL4908879 0.70 HTR7 (0.50) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL4752410 0.69 HTR2A (0.49) HTR1ADRD2HTR2A
SCHEMBL4753185 0.68 DRD2 (0.51) HTR1AHTR7DRD2SLC6A4HTR2A
Hydrochloric Acid SCHEMBL4787868 0.68 DRD2 (0.50) LMNAUSP2HTR1AHTR7DRD2
SCHEMBL4789463 0.67 PPARG (0.44) ALDH1A1HTR1AHTR7DRD2SLC6A4

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