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SCHEMBL1668683

SCHEMBL1668683

CC(=O)C(O)Oc1cccc(C(=O)N2CCC3(CC2)COc2ccc(CN)cc23)c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 11/20 0.56
▸ PRSS2 P07478 11/20 0.56
▸ PRSS3 P35030 11/20 0.56
▸ MAOA P21397 1/20 0.53
▸ MAOB P27338 1/20 0.53

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
SCHEMBL2111845 0.89 PRSS1 (0.64) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL1668917 0.89 PRSS1 (0.51) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL11903736 0.88 PRSS1 (0.52) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110848 0.86 PRSS1 (0.57) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109383 0.86 PRSS1 (0.64) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL13967330 0.84 PRSS1 (0.55) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110944 0.84 PRSS1 (0.63) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109728 0.83 PRSS1 (0.63) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL12801744 0.83 PRSS1 (0.56) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2111114 0.82 PRSS1 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 — — EP claimed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 — — WO claimed