SCHEMBL8699161

SCHEMBL8699161

CC(Oc1cccc(Cl)c1C=O)N(C)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
HSD11B1 P28845 1/20 0.39
TSHR P16473 1/20 0.37
GHSR Q92847 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL8699789 0.80 ALDH1A1 (0.41) SLC6A2SLC6A4SLC6A3ADRA2BADRA2C
Hydrochloric Acid SCHEMBL8703169 0.79 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3ADRA2BADRA2C
SCHEMBL8703660 0.78 HSD11B1 (0.54) SLC6A2SLC6A4SLC6A3ADRA2BADRA2C
SCHEMBL8699218 0.77 MEN1 (0.40) SLC6A2SLC6A4SLC6A3ADRA2BADRA2C
SCHEMBL8699166 0.75 HTR1D (0.57) MEN1KMT2ATSHRLMNAMAPT
SCHEMBL8705046 0.73 RAB9A (0.38) RAB9ASLC6A2SLC6A4SLC6A3ADRA2B
SCHEMBL23760662 0.72 ALDH1A1 (0.52) ADRA2BADRA2CMEN1KMT2AALDH1A1
SCHEMBL8704859 0.72 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3ADRA2BADRA2C
SCHEMBL8699195 0.72 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3ADRA2BADRA2C
SCHEMBL15330612 0.72 KMT2A (0.51) HTR2AMEN1KMT2AALDH1A1TDP1

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-5736568-A ANTIALLERGENS; IMMUNOMODULANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-04-07 US disclosed