SCHEMBL6579209

SCHEMBL6579209

COC(=O)NC1CCNc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.44
OPRK1 P41145 5/20 0.39
HTR2C P28335 2/20 0.39
F12 P00748 4/20 0.39
HDAC1 Q13547 1/20 0.39
OPRD1 P41143 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NAAA Q02083 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
SCHEMBL1932403 0.86 EPHX2 (0.53) BDKRB1OPRK1KMT2A
SCHEMBL6245119 0.85 BDKRB1 (0.45) BDKRB1OPRK1HDAC1OPRD1
SCHEMBL1872257 0.83 BDKRB1 (0.46) BDKRB1OPRK1HTR2CHDAC1OPRD1
Hydrochloric Acid SCHEMBL1873147 0.82 BDKRB1 (0.45) BDKRB1OPRK1HTR2CHDAC1OPRD1
SCHEMBL28255232 0.82 BDKRB1 (0.43) BDKRB1OPRK1F12HDAC1OPRD1
SCHEMBL6281097 0.81 NAAA (0.52) OPRK1OPRD1NAAA
SCHEMBL7683535 0.81 BDKRB1 (0.50) BDKRB1OPRK1F12OPRD1MEN1
SCHEMBL23469157 0.79 HTT (0.56) HDAC1MEN1KMT2A
SCHEMBL22732073 0.79 TEAD1 (0.43) BDKRB1OPRK1HDAC1OPRD1KMT2A
SCHEMBL12535576 0.76 PDPK1 (0.50) HTR2C

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-1399190-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING LOW-SOLUBILITY AND/OR ACID-SENSITIVE DRUGS AND NEUTRALIZED ACIDIC POLYMERS Pfizer Products Inc. (US) 2004-03-24 EP disclosed
WO-2003000292-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING LOW-SOLUBILITY AND/OR ACID-SENSITIVE DRUGS AND NEUTRALIZED ACIDIC POLYMERS PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed