SCHEMBL2324448

SCHEMBL2324448

O=[C]c1cccc(CN2CCNCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.57
CHRM3 P20309 9/20 0.50
CXCR4 P61073 5/20 0.47
HRH3 Q9Y5N1 3/20 0.46
MEN1 O00255 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
ADRA2C P18825 1/20 0.45
CCR2 P41597 1/20 0.45
CXCL12 P48061 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FAAH O00519 1/20 0.44

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
SCHEMBL38659199 0.86 CHRM3 (0.60) SIGMAR1CHRM3CXCR4FAAH
SCHEMBL639856 0.86 CHRM3 (0.60) SIGMAR1CHRM3CXCR4FAAH
SCHEMBL21961925 0.81 SIGMAR1 (0.71) SIGMAR1CXCR4HRH3MEN1CHRM2
SCHEMBL1259602 0.81 SIGMAR1 (0.71) SIGMAR1CXCR4HRH3MEN1CHRM2
SCHEMBL6409204 0.81 NCF1 (0.60) CXCR4HRH3MEN1KMT2A
SCHEMBL3839191 0.81 HRH3 (0.60) SIGMAR1HRH3FAAH
SCHEMBL29130396 0.80 SIGMAR1 (0.59) SIGMAR1CXCR4HRH3MEN1CHRM2
Bromide SCHEMBL1259195 0.80 SIGMAR1 (0.69) SIGMAR1CXCR4HRH3MEN1CHRM2
Hydrochloric Acid SCHEMBL7426481 0.80 CXCR4 (0.60) SIGMAR1CHRM3CXCR4HRH3MEN1
SCHEMBL6858101 0.76 SIGMAR1 (0.62) SIGMAR1CHRM3CXCR4HRH3MEN1

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