SCHEMBL7722097

SCHEMBL7722097

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.39
LMNA P02545 4/20 0.37
TP53 P04637 2/20 0.37
ADAM17 P78536 3/20 0.35
ADAMTS5 Q9UNA0 3/20 0.35
MC4R P32245 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
MMP2 P08253 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NR4A1 P22736 1/20 0.34
ESR2 Q92731 1/20 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
SCHEMBL7722004 0.83 TGM2 (0.40) TGM2LMNAMC4RMAPT
SCHEMBL7728745 0.77 MAPT (0.44) TGM2LMNATP53HTR2AMAPT
SCHEMBL7727566 0.76 HTRA1 (0.34)
SCHEMBL7730697 0.75 SMN1; SMN2 (0.44) TGM2LMNATP53MC4RMAPT
SCHEMBL7729324 0.75 PTPN1 (0.34) MMP2
SCHEMBL7728458 0.75 DRD2 (0.51) TGM2LMNATP53HTR2AHTR2C
SCHEMBL7728454 0.75 DRD2 (0.51) TGM2LMNATP53HTR2AHTR2C
SCHEMBL7722089 0.75 TGM2 (0.42) TGM2LMNATP53ADAM17ADAMTS5
SCHEMBL7728461 0.74 TGM2 (0.47) TGM2LMNATP53ADAM17ADAMTS5
SCHEMBL7722092 0.74 LMNA (0.40) TGM2LMNATP53ADAM17ADAMTS5

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