SCHEMBL8338362

SCHEMBL8338362

CSc1cc(C)nc(SC)c1NC(=O)NCC1(c2ccc(C)cc2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.43
▸ SOAT1 P35610 7/20 0.42
▸ SOAT2 O75908 1/20 0.42
▸ ACAT1 P24752 1/20 0.42
▸ P2RX7 Q99572 1/20 0.40
▸ SPR P35270 1/20 0.38
▸ TP53 P04637 3/20 0.38
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL8344110 0.99 MCHR1 (0.44) MCHR1SOAT1SOAT2ACAT1P2RX7
SCHEMBL8345165 0.93 TP53 (0.46) SOAT1SOAT2ACAT1SPRTP53
SCHEMBL8340881 0.92 TP53 (0.47) SOAT1SOAT2ACAT1SPRTP53
SCHEMBL8343943 0.87 MCHR1 (0.46) MCHR1SOAT1SOAT2ACAT1P2RX7
SCHEMBL8344962 0.76 SOAT2 (0.41) MCHR1SOAT1SOAT2ACAT1P2RX7
SCHEMBL8341699 0.75 SOAT2 (0.42) MCHR1SOAT1SOAT2ACAT1P2RX7
SCHEMBL8343161 0.71 SOAT1 (0.45) SOAT1SMN1; SMN2
SCHEMBL8341155 0.71 TP53 (0.48) SOAT1SOAT2ACAT1P2RX7TP53
SCHEMBL9818674 0.70 SOAT1 (0.78) MCHR1SOAT1SOAT2ACAT1TP53
SCHEMBL8338866 0.70 SOAT1 (0.41) SOAT1

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 6 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 claimed
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
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