SCHEMBL17066443

SCHEMBL17066443

CNC1CC2c3cccc(Cl)c3C1c1c(Cl)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
HTR2B P41595 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
SLC6A2 P23975 7/20 0.37
SLC6A4 P31645 7/20 0.37
SLC6A3 Q01959 7/20 0.37
CYP2D6 P10635 5/20 0.37
TP53 P04637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL17066441 0.87 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6TP53
SCHEMBL18237855 0.76 SLC6A4 (0.43) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL18250386 0.71 HTR2A (0.37) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL17055180 0.70 CACNB4 (0.40) HTR2AHTR2CHTR2BHRH3TP53
SCHEMBL11292597 0.69 HTR2C (0.46) HTR2AHTR2CHTR2BHRH3TP53
SCHEMBL18250387 0.69 HTR2A (0.35) HTR2AHTR2CHTR2BHRH3SLC6A2
Hydrochloric Acid SCHEMBL28642004 0.68 HTR2A (0.54) HTR2AHTR2CHTR2BMEN1GMNN
SCHEMBL17066196 0.67 HTR2A (0.40) HTR2AHTR2CHTR2BHRH3CACNB4
SCHEMBL17066444 0.67 SLC6A4 (0.43) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL6326457 0.66 SMN1; SMN2 (0.41) HTR2AHTR2CHTR2BSLC6A2SLC6A4

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-9125866-B1 Antidepressant compounds KING SAUD UNIVERSITY (SA) 2015-09-08 US disclosed