SCHEMBL10588239

SCHEMBL10588239

CC1(C)C(=O)Nc2cc(NC(=O)C=Cc3ccc(C(F)(F)F)cc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
TRPV1 Q8NER1 6/20 0.55
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MCHR1 Q99705 6/20 0.51
HDAC3 O15379 1/20 0.48
ADAM17 P78536 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL9312296 0.87 MMP1 (0.57) MAOBTRPV1MAPT
SCHEMBL9312300 0.87 MMP1 (0.57) MAOBTRPV1MAPT
SCHEMBL10478111 0.85 MAPT (0.58) MAOBMEN1MAPTKMT2A
SCHEMBL9312217 0.85 MAPT (0.58) MAOBMEN1MAPTKMT2A
SCHEMBL9314245 0.85 TRPV1 (0.60) MAOBTRPV1CA12CA9CA1
SCHEMBL9314251 0.85 TRPV1 (0.60) MAOBTRPV1CA12CA9CA1
SCHEMBL10588017 0.84 MAPT (0.58) TRPV1CA12CA9CA1CA2
SCHEMBL10588022 0.84 MAPT (0.58) TRPV1CA12CA9CA1CA2
SCHEMBL9314316 0.83 HSPA9 (0.56) TRPV1CA12CA9CA1CA2
SCHEMBL10585350 0.83 MAOB (0.54) MAOBTRPV1CA12CA9CA1

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-0327986-A2 Medicaments containing lactams, substituted lactams and process for their preparation Roche Diagnostics GmbH (DE) 1989-08-16 EP disclosed