SCHEMBL8345310

SCHEMBL8345310

CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccc2ccccc2c1)C1CCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 3/20 0.37
SOAT1 P35610 6/20 0.37
P2RX3 P56373 2/20 0.36
P2RX2 Q9UBL9 2/20 0.36
KCNH2 Q12809 2/20 0.36
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
SPR P35270 1/20 0.34
MAPT P10636 1/20 0.33
PYGL P06737 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 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
SCHEMBL8338175 0.90 SOAT1 (0.37) SOAT1P2RX3P2RX2SPRMAPT
SCHEMBL8341275 0.89 SOAT1 (0.36) SOAT1P2RX3P2RX2SPRMAPT
SCHEMBL8344496 0.86 SOAT1 (0.36) SLC6A2SLC6A4SOAT1SPRMAPT
SCHEMBL8345291 0.85 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3SOAT1KCNH2
SCHEMBL8338160 0.84 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3SOAT1KCNH2
SCHEMBL8340871 0.79 UBE2M (0.42) SOAT1UBE2MDCUN1D1
SCHEMBL8339190 0.76 UBE2M (0.39) SOAT1UBE2MDCUN1D1
SCHEMBL8341257 0.75 SOAT1 (0.38) SOAT1MAPTUBE2MDCUN1D1
SCHEMBL8345061 0.73 GCGR (0.39) SOAT1UBE2MDCUN1D1
SCHEMBL8344044 0.72 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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