SCHEMBL7303833

SCHEMBL7303833

CCOC(=O)Cc1csc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
HSD17B10 Q99714 1/20 0.57
ALDH1A1 P00352 5/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
HDAC6 Q9UBN7 1/20 0.53
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL7443382 0.94 TACR1 (0.53) LMNATP53HDAC6
SCHEMBL7308841 0.89 LMNA (0.56) LMNATP53HSD17B10ALDH1A1NPC1
SCHEMBL27751166 0.87 LMNA (0.69) LMNATP53HSD17B10ALDH1A1NPC1
SCHEMBL7307895 0.85 LMNA (0.55) LMNATP53HSD17B10ALDH1A1NPC1
SCHEMBL7308749 0.83 LMNA (0.64) LMNATP53HSD17B10ALDH1A1NPC1
Hydrochloric Acid SCHEMBL7304548 0.82 LMNA (0.62) LMNATP53HSD17B10ALDH1A1NPC1
SCHEMBL7436262 0.81 MME (0.47) LMNATP53HSD17B10ALDH1A1NPC1
SCHEMBL7305542 0.81 LMNA (0.53) LMNATP53HSD17B10ALDH1A1NPC1
SCHEMBL7308721 0.80 MAPT (0.58) LMNATP53ALDH1A1NPC1RAB9A
SCHEMBL7301785 0.79 LMNA (0.52) LMNATP53HSD17B10ALDH1A1NPC1

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