SCHEMBL9943151

SCHEMBL9943151

COCCOc1cc(CC2CCN(C)CC2)ccc1Br

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.72
HTR1A P08908 18/20 0.65
CYP2D6 P10635 8/20 0.60

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
SCHEMBL12876994 0.85 SLC6A4 (0.52) SLC6A4HTR1ACYP2D6
SCHEMBL1344469 0.85 SLC6A4 (0.65) SLC6A4HTR1ACYP2D6
SCHEMBL1345766 0.84 SLC6A4 (1.00) SLC6A4HTR1ACYP2D6
Hydrochloric Acid SCHEMBL1346668 0.82 SLC6A4 (0.97) SLC6A4HTR1ACYP2D6
SCHEMBL27892028 0.81 SLC6A4 (0.60) SLC6A4HTR1ACYP2D6
SCHEMBL8837960 0.81 SLC6A4 (0.59) SLC6A4HTR1ACYP2D6
SCHEMBL1346730 0.80 HTR1A (0.90) SLC6A4HTR1ACYP2D6
SCHEMBL1346994 0.78 HTR1A (1.00) SLC6A4HTR1ACYP2D6
SCHEMBL9943155 0.78 SLC6A4 (0.65) SLC6A4HTR1ACYP2D6
SCHEMBL8773513 0.78 SLC6A4 (0.55) 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 2 patents. 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
WO-2011016468-A1 BENZYL PIPERIDINE COMPOUND 大日本住友製薬株式会社 (JP) 2011-02-10 WO disclosed