SCHEMBL7694129

SCHEMBL7694129

CC(N)CCCCCCCCCOc1cccc2sccc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.37
HTR1B P28222 6/20 0.35
NR2E1 Q9Y466 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 2/20 0.34
KCNA3 P22001 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PPARG P37231 1/20 0.32
HRH1 P35367 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL7692757 0.79 NCF1 (0.38) NCF1HTR1BHTR2ASLC6A4KCNA3
SCHEMBL3797699 0.78 CYP1A2 (0.46) HTR1BSLC6A4HRH1MCHR1
SCHEMBL8780247 0.77 KCNA3 (0.38) NCF1HTR1BHTR2ASLC6A4KCNA3
SCHEMBL7694782 0.76 PPARG (0.31) PPARG
SCHEMBL3791996 0.76 CYP2A6 (0.45) HTR1BMEN1KMT2AMCHR1
SCHEMBL827357 0.76 ALDH1A1 (0.45) MEN1KMT2AL3MBTL1
SCHEMBL8780093 0.75 CNR2 (0.40) HTR1BKCNA3
SCHEMBL914916 0.75 NR2E1 (0.37) HTR1BNR2E1HTR2AHTR2CSLC6A4
Hydrochloric Acid SCHEMBL7694137 0.72 KCNA3 (0.59) NCF1HTR1BNR2E1HTR2AHTR2C
SCHEMBL8780099 0.72 HRH3 (0.62) HTR2AMEN1KMT2AL3MBTL1

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-2002024619-A1 AMINE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 2002-03-28 WO disclosed