SCHEMBL17066445

SCHEMBL17066445

CNCC1CC2c3cccc(C)c3C1c1c(C)cccc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.44
SLC6A2 P23975 11/20 0.41
CYP2D6 P10635 7/20 0.41
SLC6A3 Q01959 5/20 0.41
HTR2C P28335 4/20 0.39
HTR2A P28223 5/20 0.37
HRH1 P35367 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL18237855 0.83 SLC6A4 (0.43) SLC6A4SLC6A2CYP2D6SLC6A3HTR2C
SCHEMBL17066197 0.76 HTR2C (0.39) SLC6A4SLC6A2CYP2D6SLC6A3HTR2C
SCHEMBL17066444 0.74 SLC6A4 (0.43) SLC6A4SLC6A2CYP2D6SLC6A3HTR2C
SCHEMBL18250386 0.62 HTR2A (0.37) SLC6A4SLC6A2SLC6A3HTR2CHTR2A
SCHEMBL17066196 0.62 HTR2A (0.40) HTR2CHTR2AMEN1KMT2AHTR2B
SCHEMBL18250387 0.61 HTR2A (0.35) SLC6A4SLC6A2CYP2D6SLC6A3HTR2C
SCHEMBL19831763 0.60 ADRA2A (0.53) SLC6A4SLC6A2CYP2D6SLC6A3
SCHEMBL14568476 0.60 HTR2C (0.59) SLC6A4SLC6A2CYP2D6HTR2CHTR2A
SCHEMBL13050996 0.59 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3HTR2CHTR2A
SCHEMBL13051002 0.59 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3HTR2CHTR2A

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