SCHEMBL6174412

SCHEMBL6174412

CCOC(=O)Nc1cnccc1C(C)C1(C(C)c2ccncc2NC(=O)OCC)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
CYP3A4 P08684 2/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 1/20 0.36
FLT1 P17948 2/20 0.35
KDR P35968 2/20 0.35
ABL1 P00519 1/20 0.35
CXCR3 P49682 6/20 0.35
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6173454 0.89 CYP2C9 (0.41) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6172844 0.88 CYP3A4 (0.40) MAPTCYP3A4GAACYP2C9CYP2C19
SCHEMBL6175907 0.88 ALDH1A1 (0.39) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6174774 0.86 SLC5A1 (0.40) MAPTCYP3A4GAACYP2C9CYP2C19
SCHEMBL6174515 0.85 ALDH1A1 (0.45) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6278206 0.85 TRPV1 (0.49) ALDH1A1TRPV1CXCR3
SCHEMBL6173573 0.85 CACNA1H (0.41) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6172977 0.85 CYP3A4 (0.43) MAPTCYP3A4GAACYP2C9CYP2C19
SCHEMBL6173283 0.84 CYP3A4 (0.38) MAPTCYP3A4GAACYP2C9CYP2C19
SCHEMBL6175217 0.84 GAA (0.42) MAPTCYP3A4GAACYP2C9CYP2C19

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