SCHEMBL8341699

SCHEMBL8341699

CSc1ccc2ncccc2c1NC(=O)NCC1(c2ccc(C)cc2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SOAT2 O75908 1/20 0.42
▸ ACAT1 P24752 1/20 0.42
▸ SOAT1 P35610 1/20 0.42
▸ MCHR1 Q99705 1/20 0.39
▸ P2RX7 Q99572 5/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37
▸ LMNA P02545 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8344962 0.99 SOAT2 (0.41) SOAT2ACAT1SOAT1MCHR1P2RX7
SCHEMBL8341067 0.92 P2RX7 (0.44) SOAT2ACAT1SOAT1P2RX7TP53
SCHEMBL8341689 0.91 P2RX7 (0.46) SOAT2ACAT1SOAT1P2RX7TP53
SCHEMBL8344110 0.75 MCHR1 (0.44) SOAT2ACAT1SOAT1MCHR1P2RX7
SCHEMBL8338362 0.75 MCHR1 (0.43) SOAT2ACAT1SOAT1MCHR1P2RX7
SCHEMBL8343943 0.74 MCHR1 (0.46) SOAT2ACAT1SOAT1MCHR1P2RX7
SCHEMBL8344481 0.73 TRPV1 (0.39) HPGDSMN1; SMN2
SCHEMBL8341687 0.73 ALDH1A1 (0.41) LMNAALDH1A1SMN1; SMN2
SCHEMBL8340881 0.71 TP53 (0.47) SOAT2ACAT1SOAT1TP53LMNA
SCHEMBL9818674 0.70 SOAT1 (0.78) SOAT2ACAT1SOAT1MCHR1TP53

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
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