SCHEMBL7722009

SCHEMBL7722009

CC(C)(C)OC(=O)NCC(=O)N[C@@H]1C[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.42
DRD2 P14416 7/20 0.42
DRD3 P35462 1/20 0.41
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL7722007 1.00 TGM2 (0.42) TGM2DRD2DRD3MAPTMEN1
SCHEMBL7722003 1.00 TGM2 (0.42) TGM2DRD2DRD3MAPTMEN1
SCHEMBL7730693 0.88 SMN1; SMN2 (0.47) TGM2DRD2MAPTMEN1KMT2A
SCHEMBL7730706 0.88 SMN1; SMN2 (0.47) TGM2DRD2MAPTMEN1KMT2A
SCHEMBL7730702 0.88 SMN1; SMN2 (0.47) TGM2DRD2MAPTMEN1KMT2A
SCHEMBL7728748 0.88 LMNA (0.44) TGM2DRD2MAPTMEN1KMT2A
SCHEMBL7728741 0.88 LMNA (0.44) TGM2DRD2MAPTMEN1KMT2A
SCHEMBL7728746 0.88 LMNA (0.44) TGM2DRD2MAPTMEN1KMT2A
SCHEMBL7734015 0.85 TGM2 (0.41) TGM2MAPTMEN1KMT2ALMNA
SCHEMBL7734016 0.85 TGM2 (0.41) TGM2MAPTMEN1KMT2ALMNA

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