SCHEMBL2148946

SCHEMBL2148946

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 8/20 0.58
MC4R P32245 8/20 0.58
APP P05067 1/20 0.36
ADRB1 P08588 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GRIN2B Q13224 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.32
P2RX7 Q99572 1/20 0.32
TNF P01375 1/20 0.32

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
SCHEMBL16445460 0.83 MC1R (0.71) MC1RMC4RAPPGRIN2BKMT2A
Trifluoroacetic Acid SCHEMBL1309977 0.82 MC1R (0.56) MC1RMC4RAPP
SCHEMBL2149249 0.80 MC1R (0.49) MC1RMC4RAPPADRB1HTR2A
SCHEMBL1310043 0.80 MC1R (0.55) MC1RMC4RAPPL3MBTL1GRIN2B
Hydrochloric Acid SCHEMBL1310496 0.79 MC1R (0.60) MC1RMC4RAPP
Hydrochloric Acid SCHEMBL1310494 0.79 MC1R (0.60) MC1RMC4RAPP
SCHEMBL1309979 0.78 MC1R (0.50) MC1RMC4RAPPGRIN2B
SCHEMBL2149032 0.78 MC1R (0.62) MC1RMC4RAPPL3MBTL1GRIN2B
SCHEMBL16188227 0.76 MC1R (0.72) MC1RMC4RKMT2A
SCHEMBL2149320 0.76 MC1R (0.51) MC1RMC4R

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-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
WO-2010052253-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 WO disclosed