SCHEMBL8359986

SCHEMBL8359986

NCC1C=C[CH]c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.44
HTR6 P50406 1/20 0.39
HTR2C P28335 9/20 0.34
RET P07949 1/20 0.34
HRH1 P35367 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2B P41595 8/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL13718967 0.80 HTR6 (0.35) HTR2AHTR6
SCHEMBL5970701 0.80 HTR6 (0.35) HTR2AHTR6RET
SCHEMBL3239785 0.79 HTR6 (0.58) HTR2AHTR6HTR2CRETHRH1
Hydrochloric Acid SCHEMBL9724414 0.78 HTR6 (0.56) HTR2AHTR6HTR2CRETHRH1
SCHEMBL8021483 0.77 HTR6 (0.33) HTR2AHTR6HTR2CRETHRH1
SCHEMBL8030752 0.74 BCHE (0.34) HTR2AHTR6HTR2CHRH1MEN1
SCHEMBL631657 0.70 HTR2A (0.31) HTR2A
SCHEMBL3773580 0.68 HTR2A (0.30) HTR2A
SCHEMBL1547704 0.68 HTR2A (0.30) HTR2A
SCHEMBL3862739 0.68 MAOA (0.32) HTR2A

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
US-5994507-A CONTACTING AQUEOUS LIQUID CONTAINING ALBUMIN WITH A COMPOUND CONTAINING THE SCAFFOLD--C(=O)-NH-C(=C-)-C(=O)- AND HAVING BEEN PRE-CHECKED TO BIND TO THE ALBUMIN; FOR REMOVAL OF ALBUMIN FROM A SOLUTION OR FOR PURIFICATION OF ALBUMIN AMERSHAM PHARMACIA BIOTECH AB (SE) 1999-11-30 US disclosed