SCHEMBL172367

SCHEMBL172367

CCC(C)CNCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 2/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC2A4 P14672 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2C P18825 1/20 0.39
GPR88 Q9GZN0 1/20 0.38

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
SCHEMBL18236733 0.82 NAMPT (0.46) LMNAMAPTMAPK1GAAALDH1A1
SCHEMBL24762812 0.81 MEN1 (0.50) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL12923898 0.81 MEN1 (0.50) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL7992509 0.79 GAA (0.42) LMNAMAPTMAPK1GAAALDH1A1
SCHEMBL21799751 0.78 ANPEP (0.50) LMNAALDH1A1
SCHEMBL172622 0.78 LMNA (0.63) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL2567878 0.77 SLC2A4 (0.41) LMNAMAPTMAPK1GAAALDH1A1
SCHEMBL1702982 0.77 GAA (0.42) LMNAMAPTMAPK1GAAALDH1A1
SCHEMBL211808 0.76 GAA (0.49) LMNAMAPTMAPK1GAAALDH1A1
SCHEMBL172355 0.75 SLC6A4 (0.49) MAPTGAAMEN1KMT2ACYP3A4

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-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed