SCHEMBL3380976

SCHEMBL3380976

COc1cccc(C(C=O)c2ccc(Br)cc2OC2CNC2)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.49
HTR6 P50406 3/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46

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
SCHEMBL3378693 0.88 SLC6A4 (0.44) SLC6A4HTR6HTR2CHTR2B
SCHEMBL3377985 0.87 SLC6A4 (0.47) SLC6A4HTR6HTR2CHTR2B
SCHEMBL2284944 0.74 SLC6A4 (0.74) SLC6A4HTR6HTR2CHTR2B
SCHEMBL2280108 0.71 SLC6A4 (0.69) SLC6A4HTR6
SCHEMBL3380982 0.71 SLC6A4 (0.47) SLC6A4HTR6
SCHEMBL15018731 0.70 HTT (0.47)
SCHEMBL14856226 0.69 HTT (0.51)
SCHEMBL14862428 0.69 SLC6A4 (0.64) SLC6A4HTR6
SCHEMBL2580468 0.69 SLC6A4 (0.64) SLC6A4HTR6
SCHEMBL1515778 0.67 CHRM2 (0.48)

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