SCHEMBL7307957

SCHEMBL7307957

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)Nc1nc(CC(=O)O)cs1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.56
CTSS P25774 7/20 0.55
CTSK P43235 6/20 0.55
CTSB P07858 3/20 0.55
CTSL P07711 1/20 0.55
PTPRB P23467 2/20 0.53
HDAC8 Q9BY41 1/20 0.49
AKT1 P31749 1/20 0.49
ACE P12821 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CCKAR P32238 1/20 0.47
CCKBR P32239 1/20 0.47
SCN9A Q15858 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
SCHEMBL7306211 0.91 CTSS (0.52) MMECTSSCTSKCTSBCTSL
SCHEMBL7308841 0.90 LMNA (0.56) CTSSCTSKCTSBCTSLPTPRB
SCHEMBL3814091 0.86 CTSS (0.57) CTSSCTSKCTSBCTSLPTPRB
SCHEMBL27677878 0.86 CTSS (0.57) CTSSCTSKCTSBCTSLPTPRB
SCHEMBL3815763 0.84 CTSS (0.55) CTSSCTSKCTSBCTSLPTPRB
SCHEMBL3815756 0.84 CTSS (0.55) CTSSCTSKCTSBCTSLPTPRB
SCHEMBL7308721 0.81 MAPT (0.58) CTSSCTSKPTPRBALDH1A1
SCHEMBL299175 0.80 SMN1; SMN2 (0.51) ALDH1A1
SCHEMBL16434228 0.79 NPSR1 (0.53) CTSSCTSKCTSBCTSLPTPRB
SCHEMBL7443382 0.79 TACR1 (0.53) MMECTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636630-B1 N-heteroaryl substituted derivatives of propanamide useful in the treatment of cardiovascular diseases ZAMBON SPA (IT) 1999-04-28 EP disclosed
US-5438046-A Enzyme inhibitors ZAMBON GROUP S.P.A. (IT) 1995-08-01 US disclosed
EP-0636630-A1 N-heteroaryl substituted derivatives of propanamide useful in the treatment of cardiovascular diseases ZAMBON GROUP S.p.A. (IT) 1995-02-01 EP disclosed