SCHEMBL13068044

SCHEMBL13068044

CC[C@H](N)[C@@H](Cc1ccc(Cl)cn1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SCN4A P35499 5/20 0.36
METAP1 P53582 4/20 0.36
CNR1 P21554 2/20 0.36
METAP2 P50579 1/20 0.36
CNR2 P34972 1/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GABRA5 P31644 1/20 0.33
ATP1A1 P05023 1/20 0.33

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
SCHEMBL3371837 0.86 GRIN2D (0.40) PPARGGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3371841 0.86 GRIN2D (0.40) PPARGGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27596043 0.86 GRIN2D (0.40) PPARGGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL3370440 0.84 CNR1 (0.39) PPARGGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL3370436 0.84 CNR1 (0.39) PPARGGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3374776 0.80 CNR1 (0.42) PPARGHTTNPSR1METAP1CNR1
SCHEMBL3372133 0.80 CNR1 (0.42) PPARGHTTNPSR1METAP1CNR1
SCHEMBL31570745 0.77 HTT (0.48) PPARGGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13068047 0.74 PNMT (0.42) GRIN1GRIN2BHTTSCN4ASLC6A2
Hydrochloric Acid SCHEMBL3374572 0.73 PNMT (0.41) GRIN1GRIN2BHTTSCN4ASLC6A2

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
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 EP disclosed