SCHEMBL1069048

SCHEMBL1069048

CCCCN(Cc1nc(-c2ccncc2)no1)C1CCN(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
GPR119 Q8TDV5 2/20 0.47
CHRNA7 P36544 1/20 0.44
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 2/20 0.40
EPHX2 P34913 1/20 0.40
KCNH2 Q12809 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5133956 0.94 SMN1; SMN2 (0.48) TSHRSMN1; SMN2LMNAGPR119CHRNA7
SCHEMBL2300194 0.90 SMN1; SMN2 (0.50) TSHRSMN1; SMN2LMNAGPR119CHRNA7
SCHEMBL387140 0.88 GPR119 (0.64) TSHRSMN1; SMN2LMNAGPR119
SCHEMBL27951676 0.85 GPR119 (0.47) TSHRSMN1; SMN2LMNAGPR119CHRNA7
SCHEMBL2298624 0.84 NPC1 (0.56) TSHRSMN1; SMN2LMNAGPR119CHRNA7
SCHEMBL389126 0.82 GPR119 (0.66) TSHRSMN1; SMN2LMNAGPR119
SCHEMBL1831648 0.79 GPR119 (0.48) TSHRSMN1; SMN2LMNAGPR119CHRNA7
SCHEMBL2292951 0.79 GPR119 (0.49) TSHRSMN1; SMN2LMNAGPR119CHRNA7
SCHEMBL389773 0.78 GPR119 (0.68) TSHRSMN1; SMN2LMNAGPR119
Tert-Butyl Formate SCHEMBL27951678 0.76 SLC6A2 (0.46) TSHRSMN1; SMN2LMNAGPR119THRB

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-2322150-A2 Method of identifying GLP-1 secretagogues Arena Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed
EP-2004157-B1 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO ARENA PHARM INC (US) 2011-01-12 EP disclosed
EP-2253311-A2 Use of GPR119 receptor agonists for increasing bone mass and for treating osteoporosis, as well as combination therapy relating thereto Arena Pharmaceuticals, Inc. (US) 2010-11-24 EP disclosed