SCHEMBL3348259

SCHEMBL3348259

Cn1ccc(Oc2cc(Br)ccc2OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.48
CCR5 P51681 3/20 0.45
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
PTGER1 P34995 7/20 0.44
MAOB P27338 1/20 0.43
CYP1A2 P05177 1/20 0.43
USP28 Q96RU2 1/20 0.42
USP25 Q9UHP3 1/20 0.42
LMNA P02545 1/20 0.41
C5AR1 P21730 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3348321 0.80 HTR2C (0.52) SLC6A4ALDH1A1PTGER1LMNAHTT
SCHEMBL31644088 0.78 SLC6A4 (0.66) SLC6A4CCR5ALDH1A1RAB9APTGER1
SCHEMBL368071 0.78 SLC6A4 (0.66) SLC6A4CCR5ALDH1A1RAB9APTGER1
SCHEMBL1447864 0.75 SLC6A4 (0.59) SLC6A4CCR5ALDH1A1RAB9AMAOB
SCHEMBL30504080 0.75 SLC6A4 (0.59) SLC6A4CCR5ALDH1A1RAB9AMAOB
SCHEMBL2060462 0.72 SMPD1 (0.59) SLC6A4CCR5ALDH1A1RAB9AMAOB
SCHEMBL30601752 0.72 SMPD1 (0.59) SLC6A4CCR5ALDH1A1RAB9AMAOB
SCHEMBL30124921 0.72 SMPD1 (0.59) SLC6A4CCR5ALDH1A1RAB9AMAOB
SCHEMBL15726115 0.70 SLC6A4 (0.54) SLC6A4CCR5ALDH1A1RAB9APTGER1
SCHEMBL3724105 0.70 MEN1 (0.59) SLC6A4CCR5ALDH1A1RAB9APTGER1

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-2010059393-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 WO claimed