SCHEMBL6176573

SCHEMBL6176573

CC(c1ccnc(C(=O)N2CCN(c3ccccc3)CC2)c1)C1(C(C)c2ccnc(C(=O)N3CCN(c4ccccc4)CC3)c2)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.41
CCKAR P32238 1/20 0.39
MGLL Q99685 2/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
CFTR P13569 1/20 0.37
SCN9A Q15858 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TACR3 P29371 1/20 0.36
GAA P10253 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6178301 0.90 EPHX2 (0.41) MAPK7EPHX2
SCHEMBL6173461 0.88 IGF1R (0.39) MAPTPOLBTP53CFTRNPSR1
SCHEMBL6173425 0.88 LMNA (0.38) MAPTPOLBSMN1; SMN2TP53CFTR
SCHEMBL4849527 0.85 PDE2A (0.37) POLBSCN9AALDH1A1GAACYP3A4
SCHEMBL6171821 0.85 PDE2A (0.39) POLBTP53ALDH1A1GAACYP3A4
SCHEMBL6173023 0.83 IGF1R (0.38) POLBSCN9AALDH1A1GAACYP3A4
SCHEMBL6173118 0.81 KCNA5 (0.41) KCNA5CCKARMGLLMAPTNPC1
SCHEMBL6173122 0.81 KCNA5 (0.41) KCNA5CCKARMGLLMAPTNPC1
SCHEMBL6174541 0.81 SLC5A1 (0.40) MAPTPOLBGAACYP3A4CYP2C9
SCHEMBL6172376 0.79 ALDH1A1 (0.37) POLBALDH1A1GAACYP3A4CYP2C9

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-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