SCHEMBL5612256

SCHEMBL5612256

CC(C)(C)NCC1CCCCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
HRH3 Q9Y5N1 1/20 0.38
FKBP1A P62942 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PREP P48147 1/20 0.35

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
SCHEMBL5556194 0.95 DPP4 (0.46) DPP4DPP8DPP9HRH3POLB
SCHEMBL24260232 0.83 DPP4 (0.39) DPP4DPP8DPP9HRH3FKBP1A
SCHEMBL24260228 0.83 XPNPEP1 (0.40) DPP4DPP8DPP9HRH3FKBP1A
SCHEMBL22370887 0.81 HRH3 (0.40) HRH3MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL22578383 0.81 HRH3 (0.40) HRH3MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL25180293 0.81 HRH3 (0.40) HRH3MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL18792776 0.81 DPP4 (0.44) DPP4DPP8DPP9HRH3POLB
Hydrochloric Acid SCHEMBL29654932 0.80 ALDH1A1 (0.40) HRH3MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL3083501 0.78 EPHX1 (0.44) L3MBTL1ALDH1A1HCRTR1HCRTR2KMT2A
SCHEMBL20812666 0.77 OPRD1 (0.49) DPP4DPP8DPP9POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007066102-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-14 WO disclosed