SCHEMBL6173489

SCHEMBL6173489

CC(c1ccncc1C(=O)N1CCCCC1)C1(C(C)c2ccncc2C(=O)N2CCCCC2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TACR1 P25103 1/20 0.34
CYP2C9 P11712 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A9 P48067 4/20 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
NAMPT P43490 2/20 0.32

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
SCHEMBL6176027 0.93 HRH4 (0.33) DPP4DPP7HTTTACR1CYP2C9
SCHEMBL6175091 0.92 SLC6A9 (0.34) DPP4DPP7LMNAMAPK1HTT
SCHEMBL6172665 0.90 SLC6A9 (0.38) LMNAMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL6177902 0.86 CYP2C9 (0.35) DPP4DPP7LMNAHTTCYP2C9
SCHEMBL6202665 0.85 SMN1; SMN2 (0.42) DPP4DPP7LMNAMAPK1HTT
SCHEMBL6171082 0.84 ALDH1A1 (0.35) LMNACYP2C9ALDH1A1CYP3A4GAA
SCHEMBL6172647 0.83 CYP3A4 (0.35) LMNASMN1; SMN2CYP2C9ALDH1A1CYP3A4
SCHEMBL6173750 0.81 KMT2A (0.39) LMNAMAPK1HTTSMN1; SMN2CYP2C9
SCHEMBL6176692 0.81 KMT2A (0.36) LMNAMAPK1HTTSMN1; SMN2CYP2C9
SCHEMBL6172103 0.81 RXFP1 (0.42) LMNAHTTCYP2C9ALDH1A1CYP3A4

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