SCHEMBL7728461

SCHEMBL7728461

Cc1c(Cl)cccc1N1CCN(C(=O)[C@H]2CC(CN(C=O)OC(C)(C)C)CN2C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.47
LMNA P02545 5/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 4/20 0.35
ADAMTS5 Q9UNA0 3/20 0.35
ADAM17 P78536 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7728458 0.82 DRD2 (0.51) TGM2LMNATP53HTR2AHTR2C
SCHEMBL7728454 0.82 DRD2 (0.51) TGM2LMNATP53HTR2AHTR2C
SCHEMBL7722097 0.74 TGM2 (0.39) TGM2LMNATP53MAPTADAMTS5
SCHEMBL7721995 0.74 NR1H2 (0.39) TGM2
SCHEMBL7722084 0.74 NR1H2 (0.39) TGM2
SCHEMBL8144741 0.74 CYP1A2 (0.33) TGM2
SCHEMBL29799597 0.73 DRD2 (0.45) TGM2HTR2A
SCHEMBL7729539 0.73 NR1H2 (0.38) TGM2
SCHEMBL21996003 0.72 LMNA (0.56) LMNATP53MAPTADAMTS5MEN1
SCHEMBL7722089 0.72 TGM2 (0.42) TGM2LMNATP53ADAMTS5ADAM17

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