SCHEMBL6590388

SCHEMBL6590388

CCCC1(C(=CC(=O)O)C(=O)O)c2ccccc2CN1c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.31

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
SCHEMBL6589723 0.92 RXFP1 (0.31) SLC6A2
SCHEMBL6589652 0.81 LMNA (0.33)
SCHEMBL6593270 0.78 RXFP1 (0.36)
SCHEMBL8432079 0.78 RXFP1 (0.36)
SCHEMBL6589528 0.72 MMP9 (0.32) SLC6A2
SCHEMBL6592827 0.68 ALDH1A1 (0.33)
SCHEMBL6587765 0.65 LMNA (0.34)
SCHEMBL6589626 0.64 RXFP1 (0.50) SLC6A2
SCHEMBL8432083 0.64 RXFP1 (0.35) SLC6A2
SCHEMBL6593566 0.64 RXFP1 (0.37)

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
EP-0703232-B1 2,3-Dihydro-1H-isoindole derivates, a process for their preparation and their use as serotonin reuptake inhibitors AVENTIS PHARMA INC (US) 2004-06-30 EP claimed