SCHEMBL6979673

SCHEMBL6979673

CC1(C)CC([N])NC1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.37
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL28450441 0.81 POLB (0.42) GBA1
SCHEMBL9852828 0.71 CA2 (0.42) GBA1
SCHEMBL23477826 0.70 POLB (0.42) GBA1DDB1CRBNHDAC8
SCHEMBL6982093 0.68 HDAC8 (0.44) GBA1DDB1CRBNHDAC8
SCHEMBL6977385 0.68 MAOB (0.37) GBA1DDB1CRBN
SCHEMBL10073907 0.67 CTSC (0.43) GBA1DDB1CRBN
SCHEMBL23478123 0.66 POLB (0.38) GBA1HDAC8
SCHEMBL1558534 0.66 GBA1 (0.48) GBA1
SCHEMBL6965239 0.66 POLB (0.49) GBA1
SCHEMBL7284669 0.66 GBA1 (0.44) GBA1

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-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed