SCHEMBL6173653

SCHEMBL6173653

CC(c1cc(N)nc2ccccc12)C1(C(C)c2cc(N)nc3ccccc23)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.38
CTSD P07339 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACP1 P24666 1/20 0.36
OPRL1 P41146 1/20 0.36
CXCR3 P49682 2/20 0.35
MGLL Q99685 1/20 0.35
PDE2A O00408 2/20 0.34
LIPE Q05469 1/20 0.34
IGF1R P08069 2/20 0.34
GPR139 Q6DWJ6 2/20 0.34
NOD1 Q9Y239 1/20 0.34
NTRK1 P04629 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 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
SCHEMBL6174312 0.90 POLB (0.40) BACE1CTSDBACE2POLBL3MBTL1
SCHEMBL6175476 0.89 IGF1R (0.43) BACE1CTSDBACE2POLBL3MBTL1
SCHEMBL6172147 0.88 POLB (0.37) BACE1CTSDBACE2POLBL3MBTL1
SCHEMBL6175741 0.88 POLB (0.37) BACE1CTSDBACE2POLBL3MBTL1
SCHEMBL6175470 0.88 ACP1 (0.41) BACE1CTSDBACE2POLBL3MBTL1
SCHEMBL6173736 0.85 IGF1R (0.38) BACE1PDE2AIGF1R
SCHEMBL6175541 0.85 MCHR1 (0.41) POLBL3MBTL1ACP1MGLLPDE2A
SCHEMBL6175751 0.84 AR (0.41) BACE1CTSDBACE2POLBL3MBTL1
SCHEMBL6177158 0.79 BACE1 (0.38) BACE1CTSDBACE2POLBL3MBTL1
SCHEMBL6177161 0.78 LMNA (0.45) BACE1CTSDBACE2POLBL3MBTL1

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-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
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed