SCHEMBL17558336

SCHEMBL17558336

CC(c1cc(Br)nc(Br)c1)C1(C(C)c2cc(Br)nc(Br)c2)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE2A O00408 9/20 0.36
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
LIPE Q05469 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPV4 Q9HBA0 3/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL17558396 0.90 POLB (0.39) POLBL3MBTL1PDE2ANPBWR1MCHR1
SCHEMBL6174008 0.81 POLB (0.41) POLBL3MBTL1PDE2ANPBWR1MCHR1
SCHEMBL6175359 0.81 POLB (0.38) POLBL3MBTL1PDE2ANPBWR1MCHR1
SCHEMBL6173212 0.81 ADRB3 (0.40) POLBL3MBTL1PDE2ANPBWR1MCHR1
SCHEMBL6171486 0.79 POLB (0.39) POLBL3MBTL1PDE2ANPBWR1MCHR1
SCHEMBL6171179 0.79 POLB (0.37) POLBL3MBTL1PDE2ANPBWR1MCHR1
SCHEMBL6174854 0.78 POLB (0.36) POLBL3MBTL1PDE2ALIPECYP2C9
SCHEMBL6174616 0.78 IGF1R (0.40) POLBL3MBTL1PDE2ALIPECYP2C9
SCHEMBL6173023 0.78 IGF1R (0.38) POLBL3MBTL1PDE2ACYP2C9CYP2C19
SCHEMBL6205762 0.78 POLB (0.36) POLBL3MBTL1PDE2ANPBWR1MCHR1

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-3188729-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS Genzyme Corporation (US) 2017-07-12 EP disclosed
WO-2016036796-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS GENZYME CORPORATION (US) 2016-03-10 WO disclosed