SCHEMBL7722092

SCHEMBL7722092

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
TGM2 P21980 1/20 0.39
TP53 P04637 3/20 0.38
ADAM17 P78536 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
DRD2 P14416 2/20 0.35
MC4R P32245 1/20 0.35
DRD3 P35462 1/20 0.34
HTRA1 Q92743 1/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL7722089 0.84 TGM2 (0.42) LMNATGM2TP53ADAM17ADAMTS5
SCHEMBL7728458 0.75 DRD2 (0.51) LMNATGM2TP53DRD2DRD3
SCHEMBL7728454 0.75 DRD2 (0.51) LMNATGM2TP53DRD2DRD3
SCHEMBL7727563 0.75 HTRA1 (0.39) HTRA1
SCHEMBL7729320 0.74 MMP2 (0.37) HTRA1
SCHEMBL7722003 0.74 TGM2 (0.42) LMNATGM2TP53DRD2DRD3
SCHEMBL7722009 0.74 TGM2 (0.42) LMNATGM2TP53DRD2DRD3
SCHEMBL7722007 0.74 TGM2 (0.42) LMNATGM2TP53DRD2DRD3
SCHEMBL7722097 0.74 TGM2 (0.39) LMNATGM2TP53ADAM17ADAMTS5
SCHEMBL29799597 0.71 DRD2 (0.45) TGM2DRD2DRD3

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-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
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed