SCHEMBL9503218

SCHEMBL9503218

CC(C)c1cccc(C(C)C)c1NC(=O)NCC1CCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.48
MTNR1B P49286 3/20 0.48
SOAT1 P35610 3/20 0.47
NMBR P28336 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SOAT2 O75908 1/20 0.42
ACAT1 P24752 1/20 0.42

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
SCHEMBL9499523 0.93 NMBR (0.48) SOAT1NMBRKMT2AMEN1TDP1
SCHEMBL9875138 0.80 KMT2A (0.53) NMBRKMT2AMEN1LMNASMN1; SMN2
SCHEMBL24105927 0.77 MTNR1A (0.53) MTNR1AMTNR1BKMT2AMEN1
SCHEMBL9499589 0.77 SOAT1 (0.51) SOAT1KMT2ALMNASMN1; SMN2
SCHEMBL8800082 0.76 KMT2A (0.55) SOAT1KMT2AMEN1TDP1LMNA
SCHEMBL9330173 0.76 SOAT1 (0.46) SOAT1KMT2AMEN1TDP1SOAT2
SCHEMBL16130554 0.76 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL27586667 0.75 EPHX1 (0.62) SOAT1NMBRKMT2AMEN1TDP1
SCHEMBL1567238 0.74 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL1567241 0.74 MTNR1A (0.55) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335375-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC COMPOUNDS AND COMPOSITIONS WARNER-LAMBERT COMPANY (US) 1993-06-09 EP claimed
EP-0335375-A2 Antihyperlipidemic and antiatherosclerotic compounds and compositions WARNER-LAMBERT COMPANY (US) 1989-10-04 EP claimed
US-4868210-A PHENYL UREAS AND PHENYL THIOUREAS WARNER-LAMBERT COMPANY (US) 1989-09-19 US claimed
EP-0335375-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC COMPOUNDS AND COMPOSITIONS WARNER-LAMBERT COMPANY (US) 1993-06-09 EP disclosed
US-5030653-A N-2,6-dialkyl- or n-2,6-dialkoxyphenyl-n-arylalkylurea compounds WARNER-LAMBERT COMPANY (US) 1991-07-09 US disclosed
US-4999373-A Phenyl ureas or thioureas substituted with a xanthene or thioxanthene group WARNER-LAMBERT COMPANY (US) 1991-03-12 US disclosed
US-4948806-A N-2,6-DIALKYL-OR N-2,6-DIALKOXYPHENYL-N'-ARYLALKYLUREA WARNER-LAMBERT COMPANY (US) 1990-08-14 US disclosed
EP-0335375-A2 Antihyperlipidemic and antiatherosclerotic compounds and compositions WARNER-LAMBERT COMPANY (US) 1989-10-04 EP disclosed
US-4868210-A PHENYL UREAS AND PHENYL THIOUREAS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed