SCHEMBL6176027

SCHEMBL6176027

CC(c1ccncc1C(=O)N1CCN(C)CC1)C1(C(C)c2ccncc2C(=O)N2CCN(C)CC2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.33
TACR1 P25103 1/20 0.33
SLC6A9 P48067 6/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
HTT P42858 1/20 0.32
NAMPT P43490 1/20 0.31
IGF1R P08069 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL6173489 0.93 DPP4 (0.36) TACR1SLC6A9ALDH1A1CYP3A4GAA
SCHEMBL6175091 0.91 SLC6A9 (0.34) TACR1SLC6A9ALDH1A1CYP3A4GAA
SCHEMBL6172665 0.91 SLC6A9 (0.38) SLC6A9ALDH1A1TP53MDM2HTT
SCHEMBL6175872 0.86 EPHX2 (0.40) HRH4ALDH1A1TP53MDM2CYP3A4
SCHEMBL6175204 0.86 IGF1R (0.38) HRH4TACR1ALDH1A1TP53MDM2
SCHEMBL6177902 0.86 CYP2C9 (0.35) ALDH1A1TP53CYP3A4GAACYP2C9
SCHEMBL6171082 0.83 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4GAACYP2C9
SCHEMBL6172647 0.82 CYP3A4 (0.35) ALDH1A1TP53CYP3A4GAACYP2C9
SCHEMBL6173750 0.81 KMT2A (0.39) ALDH1A1TP53CYP3A4GAACYP2C9
SCHEMBL6176692 0.81 KMT2A (0.36) ALDH1A1TP53CYP3A4GAACYP2C9

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