SCHEMBL8724040

SCHEMBL8724040

C1=C(c2c[nH]c3ccccc23)CCC2CCCCN2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.56
KDM4E B2RXH2 4/20 0.56
ALOX15 P16050 4/20 0.56
LMNA P02545 3/20 0.56
SLC6A4 P31645 3/20 0.56
HSD17B10 Q99714 2/20 0.56
POLB P06746 1/20 0.56
HTR6 P50406 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTT P42858 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TDO2 P48775 1/20 0.54
DRD2 P14416 6/20 0.51
HTR2A P28223 3/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
HTR2C P28335 1/20 0.50
TP53 P04637 1/20 0.46
SLC6A2 P23975 1/20 0.44

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
SCHEMBL8383236 0.85 HTR1A (0.52) HTR1AKDM4EALOX15LMNASLC6A4
SCHEMBL30908963 0.85 HTR1A (0.52) HTR1AKDM4EALOX15LMNASLC6A4
Potassium Ion SCHEMBL8711597 0.83 HTR1A (0.50) HTR1AKDM4EALOX15LMNASLC6A4
SCHEMBL6194848 0.80 HTR1A (0.56) HTR1AKDM4EALOX15LMNASLC6A4
SCHEMBL2781828 0.75 HTR1A (0.53) HTR1AKDM4EALOX15LMNASLC6A4
Hydrochloric Acid SCHEMBL2779321 0.75 HTR1A (0.53) HTR1AKDM4EALOX15LMNASLC6A4
SCHEMBL30908976 0.73 NOS3 (0.42) LMNAPOLBMAPTTP53
SCHEMBL8721916 0.73 NOS3 (0.47) HTR1AKDM4ESLC6A4HSD17B10POLB
Hydrochloric Acid SCHEMBL11439099 0.72 SLC6A4 (1.00) HTR1AKDM4EALOX15LMNASLC6A4
SCHEMBL4674658 0.72 SLC6A4 (1.00) HTR1AKDM4EALOX15LMNASLC6A4

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
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed