SCHEMBL7730106

SCHEMBL7730106

Cc1cc2nc(C(O)[C@@H](CCc3ccccc3)NC(=O)[C@H](N)CCCN)oc2cc1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.38
METAP2 P50579 2/20 0.37
METAP1 P53582 2/20 0.37
MMP2 P08253 1/20 0.37
LNPEP Q9UIQ6 5/20 0.37
ERAP2 Q6P179 3/20 0.36
ERAP1 Q9NZ08 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
LTA4H P09960 1/20 0.34
CTSB P07858 1/20 0.34
CTSH P09668 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL7734181 0.95 OPRK1 (0.37) CTSCMETAP2METAP1MMP2LNPEP
SCHEMBL7732452 0.88 LMNA (0.42) CTSCMETAP2MMP2LNPEPERAP2
SCHEMBL7723243 0.87 CTSL (0.43) CTSCMETAP2METAP1MMP2LNPEP
SCHEMBL7734185 0.84 LNPEP (0.34) CTSCMMP2LNPEPERAP2ERAP1
Trifluoroacetic Acid SCHEMBL7731111 0.84 MMP2 (0.38) CTSCMMP2LNPEPERAP2ERAP1
Trifluoroacetic Acid SCHEMBL7732038 0.84 CTSL (0.41) CTSCMMP2LNPEPERAP2ERAP1
Trifluoroacetic Acid SCHEMBL7733845 0.83 LMNA (0.39) CTSCMETAP2MMP2LNPEPERAP2
Trifluoroacetic Acid SCHEMBL7735796 0.82 HRH2 (0.34) METAP2METAP1MMP2LNPEPERAP2
SCHEMBL7734143 0.81 ATM (0.46) CTSB
SCHEMBL7735797 0.79 METAP2 (0.32) METAP2METAP1LNPEPERAP2ERAP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed