SCHEMBL7306530

SCHEMBL7306530

COC(=O)c1ccnc(NC(=O)C(Cc2ccccc2)NP(=O)(OCc2ccccc2)OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 5/20 0.45
KDM5B Q9UGL1 1/20 0.43
IL1RN P18510 1/20 0.42
HPGD P15428 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ERAP2 Q6P179 1/20 0.39
PPIA P62937 1/20 0.39
TSHR P16473 1/20 0.39
SLC7A5 Q01650 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7303824 0.91 LNPEP (0.43) LNPEPKDM5BIL1RNMAPTGSK3B
SCHEMBL7295772 0.82 TACR1 (0.54) ALDH1A1
SCHEMBL9244629 0.82 LNPEP (0.42) LNPEPKDM5BIL1RNHPGDLMNA
SCHEMBL7301392 0.81 KDM5B (0.42) LNPEPKDM5BIL1RNHPGDMAPT
SCHEMBL7303694 0.80 LNPEP (0.57) LNPEPKDM5BIL1RNHPGDERAP2
Hydrochloric Acid SCHEMBL7303882 0.79 LNPEP (0.56) LNPEPKDM5BIL1RNHPGDERAP2
SCHEMBL7300179 0.79 KDM5B (0.45) LNPEPKDM5BHPGDMAPTGSK3B
SCHEMBL7297368 0.77 KDM5A (0.44) KDM5BMAPTGSK3BALDH1A1
SCHEMBL9138312 0.74 CTSK (0.47) MAPTALDH1A1TSHR
SCHEMBL10779210 0.73 CYP1A2 (0.49) LNPEPKDM5BHPGDALDH1A1SLC7A5

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