SCHEMBL7733137

SCHEMBL7733137

NCC(=O)NC1CNC(C(=O)NC(CCc2ccccc2)c2nc3ccccc3o2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
F2 P00734 3/20 0.35
FASN P49327 1/20 0.34
CTSC P53634 5/20 0.34
PRSS8 Q16651 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 1/20 0.33
CES1 P23141 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
PTPN1 P18031 1/20 0.33
MASP2 O00187 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
SCHEMBL7733530 1.00 CTSS (0.41) CTSSLMNAMAPTF2FASN
SCHEMBL21436502 1.00 CTSS (0.41) CTSSLMNAMAPTF2FASN
SCHEMBL7733537 1.00 CTSS (0.41) CTSSLMNAMAPTF2FASN
SCHEMBL7733118 1.00 CTSS (0.41) CTSSLMNAMAPTF2FASN
SCHEMBL7723456 1.00 CTSS (0.41) CTSSLMNAMAPTF2FASN
SCHEMBL7730709 0.82 MEN1 (0.37) F2CTSCMEN1KMT2AMASP2
SCHEMBL21436255 0.82 MEN1 (0.37) F2CTSCMEN1KMT2AMASP2
SCHEMBL21523172 0.82 MEN1 (0.37) F2CTSCMEN1KMT2AMASP2
SCHEMBL21436254 0.82 MEN1 (0.37) F2CTSCMEN1KMT2AMASP2
SCHEMBL7730992 0.81 CTSS (0.42) CTSSLMNAMAPTF2CTSC

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