SCHEMBL13972746

SCHEMBL13972746

NC1CCC(C(=O)Nc2cccc3c2CCCC3)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
USP2 O75604 1/20 0.55
MAPT P10636 1/20 0.55
ALDH1A1 P00352 4/20 0.53
TSHR P16473 4/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
SIGMAR1 Q99720 2/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
LMNA P02545 1/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50

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
SCHEMBL12326596 0.87 USP2 (0.58) POLBUSP2MAPTALDH1A1TSHR
SCHEMBL10114860 0.78 USP2 (0.50) POLBUSP2MAPTALDH1A1TSHR
SCHEMBL14424278 0.78 USP2 (0.50) POLBUSP2MAPTALDH1A1TSHR
SCHEMBL14424759 0.78 USP2 (0.52) POLBUSP2MAPTALDH1A1TSHR
SCHEMBL10114473 0.78 USP2 (0.52) POLBUSP2MAPTALDH1A1TSHR
SCHEMBL2357753 0.76 ALDH1A1 (0.63) POLBALDH1A1TSHRMEN1KMT2A
SCHEMBL6627142 0.75 ALDH1A1 (0.65) POLBALDH1A1TSHRMEN1KMT2A
SCHEMBL6627140 0.75 ALDH1A1 (0.65) POLBALDH1A1TSHRMEN1KMT2A
SCHEMBL25042203 0.74 NISCH (0.47) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL30279129 0.74 NISCH (0.47) MAPTALDH1A1NPSR1MEN1KMT2A

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-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed