SCHEMBL7734185

SCHEMBL7734185

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 5/20 0.34
ERAP2 Q6P179 3/20 0.34
ERAP1 Q9NZ08 2/20 0.34
TLR2 O60603 1/20 0.33
MMP2 P08253 1/20 0.33
LTA4H P09960 1/20 0.32
CTSC P53634 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL7731113 0.91 PRSS8 (0.34) LNPEPERAP2ERAP1MMP2LTA4H
SCHEMBL7732041 0.90 CTSL (0.39) LNPEPERAP2ERAP1MMP2CHRNB2
SCHEMBL7733848 0.89 LMNA (0.38) LNPEPERAP2ERAP1
Trifluoroacetic Acid SCHEMBL7734181 0.87 OPRK1 (0.37) LNPEPERAP2ERAP1MMP2CTSC
SCHEMBL7730106 0.84 CTSC (0.38) LNPEPERAP2ERAP1MMP2LTA4H
SCHEMBL7735797 0.81 METAP2 (0.32) LNPEPERAP2ERAP1
SCHEMBL7723159 0.78 HDAC3 (0.35) LNPEPMMP2LTA4HCTSC
SCHEMBL7734127 0.78 CYP3A4 (0.38) LNPEPERAP2ERAP1MMP2LTA4H
Trifluoroacetic Acid SCHEMBL7731111 0.77 MMP2 (0.38) LNPEPERAP2ERAP1MMP2LTA4H
Trifluoroacetic Acid SCHEMBL7732038 0.76 CTSL (0.41) LNPEPERAP2ERAP1MMP2CTSC

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 2 patents. 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
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed