SCHEMBL3380982

SCHEMBL3380982

COc1cccc(C(=O)Cc2ccc(Br)cc2OC2CNC2)c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.47
HTR6 P50406 1/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL3378696 0.88 SLC6A4 (0.49) SLC6A4HTR6
SCHEMBL3377987 0.87 SLC6A4 (0.46) SLC6A4HTR6
SCHEMBL2280108 0.82 SLC6A4 (0.69) SLC6A4HTR6
SCHEMBL2284944 0.74 SLC6A4 (0.74) SLC6A4HTR6
SCHEMBL2288493 0.71 SLC6A4 (0.70) SLC6A4LMNAMAPT
SCHEMBL3380976 0.71 SLC6A4 (0.49) SLC6A4HTR6
SCHEMBL2580468 0.69 SLC6A4 (0.64) SLC6A4HTR6
SCHEMBL14862428 0.69 SLC6A4 (0.64) SLC6A4HTR6
SCHEMBL2289191 0.68 SLC6A4 (0.69) SLC6A4
SCHEMBL3353389 0.68 SLC6A4 (0.76) SLC6A4HTR6

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