SCHEMBL4776492

SCHEMBL4776492

NC(=O)c1cccc(-c2ccc3c(c2)CCC(N2CCC(c4ccccc4)C2)C3)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.49
PARP14 Q460N5 5/20 0.42
PARP10 Q53GL7 3/20 0.42
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
ESRRG P62508 1/20 0.39
TDP2 O95551 1/20 0.39
FAAH O00519 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
AGTR2 P50052 3/20 0.38
USP30 Q70CQ3 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 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
SCHEMBL4140115 0.83 TDP2 (0.45) TDP2FAAHDPP4DPP8
SCHEMBL4140118 0.83 TDP2 (0.45) TDP2FAAHDPP4DPP8
SCHEMBL4136321 0.83 TDP2 (0.45) TDP2FAAHDPP4DPP8
SCHEMBL4144270 0.83 TDP2 (0.45) TDP2FAAHDPP4DPP8
SCHEMBL4142275 0.81 PARP14 (0.43) PARP14PARP10TNKSPARP1TDP2
SCHEMBL4136275 0.80 GRIN2B (0.49) GRIN2BFAAHDPP4DPP8
SCHEMBL4133418 0.76 L3MBTL3 (0.51) GRIN2BTDP2FAAH
SCHEMBL3324704 0.75 TDP2 (0.41) TDP2FAAHDPP4DPP8
SCHEMBL3324698 0.75 TDP2 (0.41) TDP2FAAHDPP4DPP8
SCHEMBL3323263 0.75 TDP2 (0.41) TDP2FAAHDPP4DPP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP claimed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 WO claimed