SCHEMBL7730992

SCHEMBL7730992

CC(=O)N(N)[C@H]1CN[C@H](C(=O)N[C@H](CCc2ccccc2)c2nc3ccccc3o2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.42
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
F2 P00734 3/20 0.36
CTSC P53634 5/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
MASP2 O00187 1/20 0.34
XDH P47989 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PRSS8 Q16651 1/20 0.33

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
SCHEMBL7723456 0.81 CTSS (0.41) CTSSLMNAMAPTF2CTSC
SCHEMBL21436502 0.81 CTSS (0.41) CTSSLMNAMAPTF2CTSC
SCHEMBL7733530 0.81 CTSS (0.41) CTSSLMNAMAPTF2CTSC
SCHEMBL7733118 0.81 CTSS (0.41) CTSSLMNAMAPTF2CTSC
SCHEMBL7733537 0.81 CTSS (0.41) CTSSLMNAMAPTF2CTSC
SCHEMBL7733137 0.81 CTSS (0.41) CTSSLMNAMAPTF2CTSC
SCHEMBL5018348 0.66 FAAH (0.37) LMNAMAPTCTSCXDHPRSS8
SCHEMBL7728351 0.65 CTSS (0.44) CTSSF2CTSCMASP2
SCHEMBL21436251 0.64 F2 (0.35) CTSSF2CTSCMASP2
SCHEMBL21436586 0.63 F2 (0.37) CTSSF2MASP2

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-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed