SCHEMBL12801418

SCHEMBL12801418

Cc1ccc2[nH]c(C(=O)N3CCC4(CC3)COc3ccc(CN)cc34)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.59
PRSS2 P07478 11/20 0.59
PRSS3 P35030 11/20 0.59
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HRH4 Q9H3N8 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 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
SCHEMBL2109534 0.88 PRSS1 (0.62) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL13835862 0.88 PRSS1 (0.54) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL12801833 0.85 PRSS1 (0.51) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL13835533 0.82 PRSS1 (0.54) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL13835805 0.81 PRSS1 (0.56) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110944 0.79 PRSS1 (0.63) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL19387481 0.78 PRSS1 (0.49) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL12601735 0.77 PRSS1 (0.64) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110664 0.77 PRSS1 (0.82) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109979 0.77 PRSS1 (0.59) PRSS1PRSS2PRSS3MAOAMAOB

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-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed