SCHEMBL5340892

SCHEMBL5340892

CCc1ccnc(CCN)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.57
NOS1 P29475 1/20 0.57
NOS2 P35228 1/20 0.57
HRH1 P35367 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
LOXL2 Q9Y4K0 4/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
LOX P28300 2/20 0.39
LOXL3 P58215 1/20 0.38
BACE1 P56817 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL10066451 0.83 NOS3 (0.55) NOS3NOS1NOS2TSHRKDM4E
SCHEMBL15200880 0.83 NOS3 (0.61) NOS3NOS1NOS2TAAR1LOXL2
SCHEMBL13337725 0.83 NOS3 (0.55) NOS3NOS1NOS2HRH1LOXL2
Hydrochloric Acid SCHEMBL11420925 0.82 NOS3 (0.53) NOS3NOS1NOS2HRH1LOXL2
SCHEMBL218290 0.81 NOS3 (0.61) NOS3NOS1NOS2LOXL2TSHR
SCHEMBL2552826 0.80 NOS2 (0.52) NOS3NOS1NOS2TSHRKDM4E
SCHEMBL6637337 0.80 NOS3 (0.52) NOS3NOS1NOS2TSHRKDM4E
SCHEMBL11563922 0.79 NOS3 (0.59) NOS3NOS1NOS2LOXL2TSHR
SCHEMBL2550616 0.78 NOS3 (0.50) NOS3NOS1NOS2TSHRKDM4E
SCHEMBL31280277 0.78 NOS3 (0.50) NOS3NOS1NOS2TSHRKDM4E

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-1848289-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx, Inc. (US) 2007-10-31 EP disclosed
WO-2006084246-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-08-10 WO disclosed