SCHEMBL4754018

SCHEMBL4754018

CC1(C)Cc2cc(S(N)(=O)=O)cc(OCCCN3CCC(n4cnc5cc(F)ccc54)CC3)c2O1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK10 P53779 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR1A P08908 3/20 0.38
HTR7 P34969 3/20 0.38
DRD2 P14416 2/20 0.36
HTR2A P28223 1/20 0.36
HTR6 P50406 1/20 0.36
SLC6A4 P31645 1/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL4752984 0.95 ALDH1A1 (0.36) LMNAALDH1A1MAPK10KDM4EUSP2
SCHEMBL4750809 0.79 DRD2 (0.44) LMNAALDH1A1KDM4EHSD17B10HTR1A
SCHEMBL4786661 0.75 KDM4E (0.40) LMNAALDH1A1KDM4EKMT2ADRD2
SCHEMBL4750506 0.71 AKT1 (0.36) LMNAALDH1A1KDM4EKMT2AHTR2A
SCHEMBL4752472 0.70 HTR1A (0.53) HTR1AHTR7DRD2HTR2A
SCHEMBL4908879 0.70 HTR7 (0.50) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL4753185 0.70 DRD2 (0.51) HTR1AHTR7DRD2HTR2ASLC6A4
SCHEMBL4752410 0.70 HTR2A (0.49) HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL4787868 0.70 DRD2 (0.50) LMNAUSP2KMT2AHTR1AHTR7
SCHEMBL4789463 0.67 PPARG (0.44) ALDH1A1HTR1AHTR7DRD2HTR2A

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