SCHEMBL28790737

SCHEMBL28790737

O=CC1CC(c2ccccc2)C(c2cccc(Cl)c2)CN1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.49
SLC6A2 P23975 5/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
SLC6A4 P31645 1/20 0.40
HDAC2 Q92769 1/20 0.39
SLC9A1 P19634 1/20 0.39
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
LMNA P02545 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL24738322 0.73 HTR2A (0.53) SLC6A3SLC6A2HTR2AHTR2CHTR2B
SCHEMBL2916068 0.73 HTR2A (0.53) SLC6A3SLC6A2HTR2AHTR2CHTR2B
SCHEMBL1347107 0.70 SLC6A3 (0.63) SLC6A3SLC6A2HTR2AHTR2CHTR2B
SCHEMBL1347104 0.70 SLC6A3 (0.63) SLC6A3SLC6A2HTR2AHTR2CHTR2B
SCHEMBL1347110 0.70 SLC6A3 (0.63) SLC6A3SLC6A2HTR2AHTR2CHTR2B
SCHEMBL1349834 0.70 SLC6A3 (0.51) SLC6A3SLC6A2HTR2AHTR2CHTR2B
SCHEMBL1349149 0.70 SLC6A3 (0.51) SLC6A3SLC6A2HTR2AHTR2CHTR2B
SCHEMBL1349152 0.70 SLC6A3 (0.51) SLC6A3SLC6A2HTR2AHTR2CHTR2B
SCHEMBL27909987 0.70 HDAC2 (0.45) HDAC2MAPT
SCHEMBL19995526 0.70 HDAC2 (0.45) HDAC2MAPT

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
CN-102056902-B Imidazolidine derivatives HOFFMANN LA ROCHE 2013-08-07 CN disclosed
CN-102056902-A Imidazolidine derivatives HOFFMANN LA ROCHE 2011-05-11 CN disclosed