SCHEMBL7361150

SCHEMBL7361150

CCC1CCN(C(=O)[CH]Cc2ccc(NC(N)=O)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.40
EPHX2 P34913 2/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
STAT1 P42224 1/20 0.38
ALOX5 P09917 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PARP14 Q460N5 2/20 0.37
GPR183 P32249 1/20 0.37
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37

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
SCHEMBL7360351 0.87 PARP14 (0.40) FAAHEPHX2MAPTPOLBNPSR1
SCHEMBL7365927 0.82 GRIN2D (0.46) EPHX2MAPTGRIN2DGRIN3BGRIN1
SCHEMBL4096230 0.74 TPSAB1 (0.43) TSHRALDH1A1KMT2AMEN1GRIN2B
SCHEMBL7361819 0.73 VNN1 (0.38) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7363740 0.73 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3145712 0.71 SIGMAR1 (0.44) EPHX2KMT2AMEN1
SCHEMBL6164881 0.70 LTA4H (0.49) KMT2AMEN1
SCHEMBL3279457 0.70 ALDH1A1 (0.41) FAAHMAPTPOLBNPC1RAB9A
SCHEMBL3137377 0.70 TPSAB1 (0.43) TSHRALDH1A1GRIN2B
SCHEMBL7364168 0.68 PRSS1 (0.40) EPHX2PARP14

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-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed