SCHEMBL7103180

SCHEMBL7103180

COc1cccc(C2N(C)C(=O)C2(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.68
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
CHRNA7 P36544 2/20 0.44
POLB P06746 1/20 0.44
DRD2 P14416 1/20 0.43
SLC9A1 P19634 1/20 0.42
HTR2C P28335 1/20 0.42
MGLL Q99685 1/20 0.41

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
SCHEMBL1897329 0.77 HSD11B1 (0.56) HSD11B1DDB1CRBNCHRNA7POLB
SCHEMBL24167463 0.77 HSD11B1 (0.73) HSD11B1POLB
SCHEMBL1894852 0.76 HSD11B1 (0.55) HSD11B1DDB1CRBNCHRNA7POLB
SCHEMBL7358327 0.76 HSD11B1 (0.53) HSD11B1
SCHEMBL8022305 0.74 HSD11B1 (0.52) HSD11B1DDB1CRBNCHRNA7DRD2
Hydrochloric Acid SCHEMBL27463785 0.73 HSD11B1 (0.51) HSD11B1DDB1CRBNCHRNA7DRD2
Cadaverine Tartrate SCHEMBL8034056 0.70 HSD11B1 (0.48) HSD11B1DDB1CRBNDRD2SLC9A1
SCHEMBL15744005 0.70 CYP3A4 (0.47) HSD11B1DDB1CRBNCHRNA7POLB
SCHEMBL23676966 0.69 HTR2C (0.61) DDB1CRBNDRD2HTR2C
SCHEMBL28829972 0.68 KDM1A (0.60) HSD11B1DDB1CRBNDRD2SLC9A1

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-1055665-B1 3-(3-Hydroxyphenyl)-3-amino-propionamide derivatives PFIZER PROD INC (US) 2003-10-22 EP disclosed
EP-1055665-A1 3-(3-Hydroxyphenyl)-3-amino-propionamide derivatives Pfizer Products Inc. (US) 2000-11-29 EP disclosed