SCHEMBL2154187

SCHEMBL2154187

CCCCOC1(c2ccccc2C)CN(C(=O)C(N)Cc2ccc(O)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 8/20 0.52
MC4R P32245 8/20 0.52
HDAC8 Q9BY41 4/20 0.48
OPRD1 P41143 1/20 0.42
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
OPRK1 P41145 3/20 0.39

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
Trifluoroacetic Acid SCHEMBL1310190 0.95 MC1R (0.48) MC1RMC4RHDAC8OPRD1HRH2
Hydrochloric Acid SCHEMBL1310496 0.91 MC1R (0.60) MC1RMC4RHDAC8HRH2HRH1
Hydrochloric Acid SCHEMBL1310494 0.91 MC1R (0.60) MC1RMC4RHDAC8HRH2HRH1
SCHEMBL1310191 0.89 MC1R (0.49) MC1RMC4RHDAC8HRH2HRH1
SCHEMBL2149320 0.87 MC1R (0.51) MC1RMC4RHDAC8OPRD1HRH2
Trifluoroacetic Acid SCHEMBL1310217 0.87 MC1R (0.57) MC1RMC4RHRH2HRH1
SCHEMBL20450443 0.87 MC1R (0.51) MC1RMC4ROPRK1
SCHEMBL16445574 0.86 MC1R (0.61) MC1RMC4R
Trifluoroacetic Acid SCHEMBL1312510 0.85 MC1R (0.55) MC1RMC4RHRH2HRH1
SCHEMBL1311899 0.82 MC1R (0.47) MC1RMC4RHDAC8OPRD1OPRK1

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