SCHEMBL2323552

SCHEMBL2323552

Cc1ccc(N([C]=O)C2CCNC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.38
SLC6A2 P23975 14/20 0.38
CYP2D6 P10635 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A3 Q01959 7/20 0.35
KCNH2 Q12809 1/20 0.34
TACR1 P25103 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
SCHEMBL8487546 0.73 SLC6A4 (0.41) SLC6A4SLC6A2CYP2D6MEN1KMT2A
SCHEMBL4577662 0.69 SLC6A4 (0.46) SLC6A4SLC6A2CYP2D6MEN1KMT2A
SCHEMBL13980906 0.68 SLC6A4 (0.42) SLC6A4SLC6A2CYP2D6MEN1KMT2A
SCHEMBL24171955 0.68 NOS3 (0.39) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL19127680 0.66
SCHEMBL16503429 0.66 SLC6A2 (0.57) SLC6A4SLC6A2CYP2D6MEN1KMT2A
SCHEMBL332132 0.65 SLC6A4 (0.39) SLC6A4SLC6A2CYP2D6SLC6A3KCNH2
SCHEMBL23255375 0.65 ALDH1A1 (0.44) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL24028177 0.65 KHK (0.42) SLC6A4SLC6A2MEN1KMT2ASLC6A3
SCHEMBL21887535 0.64 NOS3 (0.45) SLC6A4SLC6A2SLC6A3

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-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed