SCHEMBL7735797

SCHEMBL7735797

Cc1cc2nc(C(O)[C@@H](CCc3ccccc3)NCC(OC(=O)C(F)(F)F)[C@H](N)CCCN)oc2cc1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
F9 P00740 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30
LNPEP Q9UIQ6 1/20 0.30
TP53 P04637 1/20 0.30

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 SCHEMBL7735796 0.88 HRH2 (0.34) METAP2METAP1F9ERAP2ERAP1
Trifluoroacetic Acid SCHEMBL7734181 0.82 OPRK1 (0.37) METAP2METAP1ERAP2ERAP1LNPEP
SCHEMBL7734185 0.81 LNPEP (0.34) ERAP2ERAP1LNPEP
SCHEMBL7730106 0.79 CTSC (0.38) METAP2METAP1ERAP2ERAP1LNPEP
SCHEMBL7734187 0.76 F9 (0.30) METAP2METAP1F9
SCHEMBL7729637 0.73 METAP2 (0.41) METAP2METAP1ERAP2ERAP1TP53
Trifluoroacetic Acid SCHEMBL7731111 0.72 MMP2 (0.38) ERAP2ERAP1LNPEP
Trifluoroacetic Acid SCHEMBL7732038 0.72 CTSL (0.41) ERAP2ERAP1LNPEP
SCHEMBL7734143 0.72 ATM (0.46)
SCHEMBL7731093 0.71 MAPT (0.41)

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