SCHEMBL2149249

SCHEMBL2149249

CCCCOC1(c2ccccc2C)CN(C(=O)C(OC(N)=O)C(O)(c2ccc(OC)cc2)C(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 8/20 0.49
MC4R P32245 8/20 0.49
APP P05067 2/20 0.36
ADRB1 P08588 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
GRIN2B Q13224 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31
CACNA1G O43497 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSK P43235 1/20 0.30

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
SCHEMBL2148946 0.80 MC1R (0.58) MC1RMC4RAPPADRB1HTR2A
Hydrochloric Acid SCHEMBL1310494 0.76 MC1R (0.60) MC1RMC4RAPP
Hydrochloric Acid SCHEMBL1310496 0.76 MC1R (0.60) MC1RMC4RAPP
SCHEMBL2149032 0.76 MC1R (0.62) MC1RMC4RAPPGRIN2BL3MBTL1
SCHEMBL2148833 0.75 MC1R (0.47) MC1RMC4RAPPGRIN2BL3MBTL1
Trifluoroacetic Acid SCHEMBL1310217 0.74 MC1R (0.57) MC1RMC4R
SCHEMBL1309979 0.74 MC1R (0.50) MC1RMC4RAPPGRIN2B
SCHEMBL3731642 0.74 MC1R (0.47) MC1RMC4RAPPGRIN2BMEN1
SCHEMBL2148877 0.73 MC1R (0.43) MC1RMC4RAPPGRIN2BL3MBTL1
Trifluoroacetic Acid SCHEMBL1309977 0.73 MC1R (0.56) MC1RMC4RAPP

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-2342194-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-07-13 EP disclosed