SCHEMBL5759002

SCHEMBL5759002

CC(C)(C)c1ccc(CNCCN2CCCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.62
SIGMAR1 Q99720 5/20 0.61
KMT2A Q03164 3/20 0.52
HRH3 Q9Y5N1 2/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
APP P05067 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
Hydrochloric Acid SCHEMBL5756367 0.98 DPP7 (0.60) DPP7SIGMAR1KMT2AHRH3KDM4E
SCHEMBL3171554 0.87 DPP7 (0.79) DPP7SIGMAR1KMT2AHRH3CYP3A4
SCHEMBL3165932 0.85 DPP7 (0.82) DPP7SIGMAR1KMT2AHRH3CYP3A4
Hydrochloric Acid SCHEMBL5754920 0.84 DPP7 (0.60) DPP7SIGMAR1KMT2AHRH3KDM4E
SCHEMBL11983547 0.83 DPP7 (0.68) DPP7SIGMAR1KMT2AHRH3MEN1
Hydrochloric Acid SCHEMBL5754540 0.82 DPP7 (0.62) DPP7SIGMAR1KMT2AHRH3KDM4E
SCHEMBL3458281 0.81 DPP7 (0.57) DPP7KMT2AHRH3KDM4EALDH1A1
SCHEMBL12049631 0.81 SIGMAR1 (0.53) SIGMAR1KMT2AALDH1A1MEN1LMNA
SCHEMBL3175086 0.81 DPP7 (0.70) DPP7SIGMAR1KMT2ACYP3A4CYP2D6
SCHEMBL23686821 0.80 DPP7 (0.68) DPP7SIGMAR1KMT2ACYP3A4CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP disclosed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP disclosed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 WO disclosed