SCHEMBL7295772

SCHEMBL7295772

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.54
CTSL P07711 3/20 0.53
CTSB P07858 3/20 0.53
CTSS P25774 3/20 0.53
CTSK P43235 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
F2 P00734 2/20 0.52
PRSS1 P07477 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
HDAC8 Q9BY41 2/20 0.51

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
SCHEMBL9138312 0.88 CTSK (0.47) CTSKALDH1A1
SCHEMBL9244629 0.83 LNPEP (0.42) ALDH1A1
SCHEMBL10709392 0.82 TACR1 (0.60) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7306530 0.82 LNPEP (0.45) ALDH1A1
SCHEMBL7303694 0.80 LNPEP (0.57)
Hydrochloric Acid SCHEMBL7303882 0.79 LNPEP (0.56) HDAC8
SCHEMBL8089164 0.78 TACR1 (0.59) TACR1CTSLCTSBCTSSCTSK
SCHEMBL9138219 0.77 IL1RN (0.44)
SCHEMBL8088245 0.76 ALDH1A1 (0.60) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7305160 0.76 ALDH1A1 (0.60) TACR1CTSLCTSBCTSSCTSK

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