SCHEMBL7301392

SCHEMBL7301392

CCCP(=O)(NC(Cc1ccccc1)C(=O)Nc1cc(C(=O)OC)ccn1)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.42
MAPT P10636 2/20 0.39
GSK3B P49841 2/20 0.39
MAPK14 Q16539 1/20 0.38
IL1RN P18510 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR132 Q9UNW8 3/20 0.37
GPR139 Q6DWJ6 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KLKB1 P03952 1/20 0.37
LNPEP Q9UIQ6 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37

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
SCHEMBL7306530 0.81 LNPEP (0.45) KDM5BMAPTGSK3BIL1RNNPC1
Lithium Ion SCHEMBL7297039 0.76 KDM4A (0.41) KDM5BMAPTGSK3BIL1RNHDAC3
SCHEMBL7295772 0.75 TACR1 (0.54) HDAC8
SCHEMBL7303694 0.75 LNPEP (0.57) KDM5BIL1RNNPC1HPGDRAB9A
SCHEMBL9244629 0.74 LNPEP (0.42) KDM5BMAPTGSK3BIL1RNNPC1
Hydrochloric Acid SCHEMBL7303882 0.74 LNPEP (0.56) KDM5BIL1RNNPC1HPGDRAB9A
SCHEMBL7297368 0.74 KDM5A (0.44) KDM5BMAPTGSK3BMAPK14
SCHEMBL7300179 0.74 KDM5B (0.45) KDM5BMAPTGSK3BNPC1HPGD
SCHEMBL7297463 0.73 BTN3A1 (0.42) MAPTSMN1; SMN2
SCHEMBL7303824 0.72 LNPEP (0.43) KDM5BMAPTGSK3BIL1RNGPR132

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