SCHEMBL6271985

SCHEMBL6271985

Clc1ccc([C@@]2(OCc3ccccc3)CCNCC2OCc2cccc(Br)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.37
SLC6A4 P31645 5/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TACR1 P25103 1/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
HTR2A P28223 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL6097113 1.00 MDM2 (0.37) MDM2SLC6A4SLC6A2SLC6A3TACR1
SCHEMBL6098050 1.00 MDM2 (0.37) MDM2SLC6A4SLC6A2SLC6A3TACR1
SCHEMBL6098052 1.00 MDM2 (0.37) MDM2SLC6A4SLC6A2SLC6A3TACR1
SCHEMBL6095480 0.92 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3
SCHEMBL6096900 0.92 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3
SCHEMBL6096896 0.92 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3
SCHEMBL6274831 0.92 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3
SCHEMBL6094715 0.91 SLC6A4 (0.38) MDM2SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL6096643 0.91 SLC6A4 (0.38) MDM2SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL6096640 0.91 SLC6A4 (0.38) MDM2SLC6A4SLC6A2SLC6A3HTR2C

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-1605941-A1 SUBSTITUTED PIPERIDINES AS NOVEL MDM2-p53 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-21 EP claimed
WO-2004080460-A1 SUBSTITUTED PIPERIDINES AS NOVEL MDM2-p53 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO claimed