SCHEMBL3908324

SCHEMBL3908324

COc1ccccc1C(CNC(=O)NCCF)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CASR P41180 3/20 0.45
KCNA3 P22001 1/20 0.43
HPGD P15428 3/20 0.42
POLB P06746 2/20 0.42
ADRB2 P07550 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
LMNA P02545 2/20 0.41
ALOX12 P18054 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3903163 0.83 CASR (0.58) MEN1KMT2ACASRHTTNPSR1
SCHEMBL3907315 0.83 GAA (0.43) CASROPRM1MTNR1AMTNR1BLMNA
SCHEMBL3903074 0.82 CASR (0.50) CASRHPGDOPRM1
SCHEMBL3904574 0.80 MTNR1A (0.59) MEN1KMT2ACASRHTTMTNR1A
SCHEMBL3903167 0.80 OPRM1 (0.44) MEN1KMT2ACASRPOLBOPRM1
SCHEMBL3910248 0.80 SLC6A4 (0.49) CASRHPGDOPRM1OPRD1OPRK1
SCHEMBL3916716 0.79 CASR (0.53) MEN1KMT2ACASRPOLBOPRM1
SCHEMBL3906138 0.78 CASR (0.46) CASRHPGDOPRM1
SCHEMBL3911825 0.77 CNR1 (0.50) CASROPRM1OPRD1OPRK1MTNR1A
SCHEMBL3908089 0.76 CASR (0.53) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP claimed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO claimed
EP-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed