SCHEMBL8338752

SCHEMBL8338752

CCSc1cc(C)nc(SCC)c1NC(=O)N(Cc1ccc(C(C)C)cc1)C1CCc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 16/20 0.39
DCUN1D1 Q96GG9 16/20 0.39
MC4R P32245 1/20 0.37
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
MCHR1 Q99705 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL8341238 0.94 UBE2M (0.40) UBE2MDCUN1D1
SCHEMBL8341180 0.86 MCHR1 (0.35) UBE2MDCUN1D1MC4RMC5RMC3R
SCHEMBL8340871 0.85 UBE2M (0.42) UBE2MDCUN1D1POLB
SCHEMBL8339190 0.83 UBE2M (0.39) UBE2MDCUN1D1POLB
SCHEMBL8343966 0.80 POLB (0.35) UBE2MDCUN1D1POLB
SCHEMBL8341444 0.78 KDM4E (0.33) UBE2MDCUN1D1POLB
SCHEMBL8343649 0.78 KDM4E (0.41) UBE2MDCUN1D1
SCHEMBL8344044 0.78 SLC6A2 (0.43) UBE2MDCUN1D1
SCHEMBL8341124 0.76 KDM4E (0.37) UBE2MDCUN1D1
SCHEMBL8341852 0.75 UBE2M (0.42) UBE2MDCUN1D1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001860-A N-aryl and N-heteroarylurea derivatives as inhibitors of acyl coenzyme A: Cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1999-12-14 US disclosed
EP-0642498-A1 NEW $i(N)-ARYL AND $i(N)-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1995-03-15 EP disclosed
WO-1993024458-A1 NEW N-ARYL AND N-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1993-12-09 WO disclosed