SCHEMBL9943155

SCHEMBL9943155

COCCOc1cc(CC2CC=NCC2)ccc1Br

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.65
HTR1A P08908 17/20 0.50
CYP2D6 P10635 8/20 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
SCHEMBL1345766 0.79 SLC6A4 (1.00) SLC6A4HTR1ACYP2D6
SCHEMBL9943151 0.78 SLC6A4 (0.72) SLC6A4HTR1ACYP2D6
Hydrochloric Acid SCHEMBL1346668 0.78 SLC6A4 (0.97) SLC6A4HTR1ACYP2D6
SCHEMBL1344469 0.74 SLC6A4 (0.65) SLC6A4HTR1ACYP2D6
SCHEMBL8829788 0.74 SLC6A4 (0.71) SLC6A4HTR1ACYP2D6
SCHEMBL1346422 0.72 SLC6A4 (0.58) SLC6A4HTR1ACYP2D6
SCHEMBL8773508 0.71 SLC6A4 (0.82) SLC6A4HTR1ACYP2D6
SCHEMBL27892028 0.70 SLC6A4 (0.60) SLC6A4HTR1ACYP2D6
Tert-Butyl Formate SCHEMBL27892030 0.70 SLC6A4 (0.80) SLC6A4HTR1ACYP2D6
SCHEMBL2408296 0.70 SLC6A4 (0.57) SLC6A4HTR1ACYP2D6

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-2463286-A1 BENZYL PIPERIDINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-06-13 EP disclosed