SCHEMBL9513440

SCHEMBL9513440

CC(C)c1cccc(C(C)C)c1NC(=O)NCCc1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.64
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
EPHX2 P34913 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MTNR1B P49286 1/20 0.47
EPHX1 P07099 1/20 0.47

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
SCHEMBL10589370 0.87 MEN1 (0.63) MEN1MAPTKMT2A
SCHEMBL13328416 0.81 MEN1 (0.65) SMN1; SMN2MEN1MAPTKMT2ALMNA
SCHEMBL9513684 0.80 EPHX1 (0.63) MEN1MAPTKMT2AEPHX1
SCHEMBL9514663 0.80 CES2 (0.62) SMN1; SMN2EPHX1
SCHEMBL9359527 0.79 LPAR1 (0.49) MTNR1ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2608948 0.78 MTNR1A (0.68) MTNR1AKMT2AMTNR1B
SCHEMBL9131472 0.77 MTNR1A (0.76) MTNR1ACA12CA1CA2CA9
SCHEMBL6688137 0.76 SMN1; SMN2 (0.67) SMN1; SMN2KMT2ALMNA
SCHEMBL2692928 0.76 MTNR1A (0.73) MTNR1ACA12CA1CA2CA9
SCHEMBL9514688 0.75 KDM4E (0.61) SMN1; SMN2EPHX2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344425-B1 N-[[(2,6-disubstituted)phenyl]-N'- arylalkyl] ureas as antihypercholesterolemic and antiatherosclerotic agents WARNER LAMBERT CO (US) 1993-12-08 EP disclosed
EP-0344425-A2 N-[[(2,6-disubstituted)phenyl]-N'- arylalkyl] ureas as antihypercholesterolemic and antiatherosclerotic agents WARNER-LAMBERT COMPANY (US) 1989-12-06 EP disclosed