SCHEMBL7300247

SCHEMBL7300247

CCCP(=O)(NC(Cc1ccc(F)cc1)C(=O)Nc1nc(CC(=O)OCC)cs1)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.48
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL7301785 0.95 LMNA (0.52) MAPTALDH1A1LMNAHTTMAPK1
SCHEMBL7298727 0.87 MEN1 (0.56) MAPTALDH1A1LMNAL3MBTL1HTT
SCHEMBL7308785 0.85 MME (0.44) ALDH1A1LMNAHTTMAPK1TP53
SCHEMBL7305542 0.82 LMNA (0.53) MAPTALDH1A1LMNAHTTTP53
SCHEMBL7307895 0.78 LMNA (0.55) MAPTALDH1A1LMNAHTTTP53
SCHEMBL7308721 0.77 MAPT (0.58) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL7307483 0.77 MAPT (0.65) MAPTALDH1A1LMNACYP1A2CYP3A4
Lithium Ion SCHEMBL7304536 0.75 MME (0.42) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL7303833 0.74 LMNA (0.58) MAPTALDH1A1LMNACYP2C9HTT
SCHEMBL7308841 0.73 LMNA (0.56) ALDH1A1LMNACYP2C9HTTTP53

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