SCHEMBL7303694

SCHEMBL7303694

COC(=O)c1ccnc(NC(=O)C(N)Cc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 8/20 0.57
SLC7A5 Q01650 1/20 0.54
ERAP2 Q6P179 2/20 0.51
KDM5B Q9UGL1 1/20 0.47
IL1RN P18510 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
NR3C2 P08235 1/20 0.44
CIT O14578 1/20 0.44
AKT1 P31749 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KDM6B O15054 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44

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
Hydrochloric Acid SCHEMBL7303882 0.99 LNPEP (0.56) LNPEPSLC7A5ERAP2KDM5BIL1RN
SCHEMBL10779210 0.83 CYP1A2 (0.49) LNPEPSLC7A5KDM5BNPC1HPGD
SCHEMBL7300179 0.81 KDM5B (0.45) LNPEPSLC7A5KDM5BNPC1HPGD
SCHEMBL7306530 0.80 LNPEP (0.45) LNPEPSLC7A5ERAP2KDM5BIL1RN
SCHEMBL7295772 0.80 TACR1 (0.54)
SCHEMBL10708877 0.80 SLC7A5 (0.64) LNPEPSLC7A5ERAP2HPGDRAB9A
SCHEMBL8120133 0.79 SLC7A5 (0.56) LNPEPSLC7A5ERAP2HPGDROCK2
SCHEMBL9138219 0.79 IL1RN (0.44) LNPEPSLC7A5ERAP2KDM5BIL1RN
SCHEMBL9244629 0.79 LNPEP (0.42) LNPEPKDM5BIL1RNNPC1HPGD
SCHEMBL9602121 0.79 ANPEP (0.58) SLC7A5NPC1RAB9ASMN1; SMN2CIT

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