SCHEMBL13012452

SCHEMBL13012452

NC(=O)C1(c2ccc(Cl)cc2)CCNC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
HDAC4 P56524 1/20 0.44
HSD11B1 P28845 6/20 0.43
AKT1 P31749 4/20 0.41
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TET3 O43151 1/20 0.38
KMT2A Q03164 1/20 0.38
FBXL19 Q6PCT2 1/20 0.38
CXXC5 Q7LFL8 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
CXXC4 Q9H2H0 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
ROCK2 O75116 1/20 0.37

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
SCHEMBL651440 0.90 DRD2 (0.56) DRD2SLC6A2SLC6A4SLC6A3HDAC4
Hydrochloric Acid SCHEMBL8353081 0.89 DRD2 (0.54) DRD2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL17424825 0.84 DRD2 (0.49) DRD2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL12219063 0.84 DRD2 (0.49) DRD2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL1975025 0.81 HSD11B1 (0.56) HDAC4HSD11B1OPRM1OPRL1ALDH1A1
SCHEMBL192358 0.80 SLC6A2 (0.46) DRD2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL684402 0.80 DRD2 (0.45) DRD2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL680932 0.80 DRD2 (0.45) DRD2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL681492 0.80 DRD2 (0.45) DRD2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL27594934 0.80 DRD2 (0.59) DRD2HDAC4HSD11B1AKT1OPRM1

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-2049546-B1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2010-12-29 EP disclosed