SCHEMBL9501682

SCHEMBL9501682

CC(C)c1cccc(C(C)C)c1NC(=O)NC1CCc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NMBR P28336 1/20 0.58
MTNR1A P48039 5/20 0.57
MTNR1B P49286 5/20 0.57
EPHX2 P34913 1/20 0.52
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
LPAR1 Q92633 1/20 0.44
TAOK1 Q7L7X3 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL13328415 0.85 MTNR1A (0.65) MTNR1AMTNR1BEPHX2LPAR1
SCHEMBL9500010 0.82 TP53 (0.52) NMBREPHX2KMT2ALMNALPAR1
SCHEMBL9875138 0.80 KMT2A (0.53) NMBREPHX2KDM4EKMT2ALMNA
SCHEMBL9501268 0.80 TP53 (0.65) EPHX2LMNA
SCHEMBL9265604 0.76 EPHX2 (0.58) EPHX2KMT2ALMNALPAR1
SCHEMBL26763719 0.76 MTNR1A (0.69) MTNR1AMTNR1BTAOK1
SCHEMBL9272350 0.75 EPHX2 (0.58) EPHX2KMT2ALMNALPAR1MEN1
SCHEMBL9273423 0.75 EPHX2 (0.61) EPHX2KMT2ALMNAMEN1
SCHEMBL9274396 0.75 EPHX2 (0.55) EPHX2KMT2ALMNAMEN1
SCHEMBL9265827 0.75 TRPV1 (0.53) EPHX2

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 8 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
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