SCHEMBL7728454

SCHEMBL7728454

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.51
TGM2 P21980 1/20 0.51
LMNA P02545 4/20 0.41
TP53 P04637 2/20 0.41
DRD3 P35462 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40

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 1.00 DRD2 (0.51) DRD2TGM2LMNATP53DRD3
SCHEMBL7722089 0.83 TGM2 (0.42) DRD2TGM2LMNATP53DRD3
SCHEMBL7728461 0.82 TGM2 (0.47) TGM2LMNATP53HTR2AHTR2C
SCHEMBL7722007 0.78 TGM2 (0.42) DRD2TGM2LMNATP53DRD3
SCHEMBL7722003 0.78 TGM2 (0.42) DRD2TGM2LMNATP53DRD3
SCHEMBL7722009 0.78 TGM2 (0.42) DRD2TGM2LMNATP53DRD3
SCHEMBL29799597 0.76 DRD2 (0.45) DRD2TGM2DRD3HTR2A
SCHEMBL7722092 0.75 LMNA (0.40) DRD2TGM2LMNATP53DRD3
SCHEMBL21996003 0.75 LMNA (0.56) LMNATP53
SCHEMBL7722097 0.75 TGM2 (0.39) TGM2LMNATP53HTR2AHTR2C

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