SCHEMBL8305726

SCHEMBL8305726

O[C@@]1(c2ccc(Cl)cc2)CCNC[C@H]1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CCR3 P51677 2/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
TACR1 P25103 2/20 0.39
REN P00797 1/20 0.36

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
SCHEMBL6950570 0.87 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL6949099 0.86 REN (0.53) DRD2REN
SCHEMBL6096117 0.77 MDM2 (0.38) SLC6A4SLC6A2SLC6A3TACR1
SCHEMBL6096275 0.77 MDM2 (0.38) SLC6A4SLC6A2SLC6A3TACR1
SCHEMBL6098761 0.77 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL6094715 0.77 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL6096643 0.77 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL6095252 0.77 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL6098573 0.77 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL6093955 0.77 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3HTR2CHTR2B

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-2004080460-A1 SUBSTITUTED PIPERIDINES AS NOVEL MDM2-p53 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO disclosed