SCHEMBL7722004

SCHEMBL7722004

CC(C)(C)OC(=O)N1C[C@H](N(C(=O)CN)C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.37
AKR1C3 P42330 1/20 0.36
MC4R P32245 2/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
GRM5 P41594 1/20 0.35
HSD11B1 P28845 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL7730697 0.88 SMN1; SMN2 (0.44) TGM2MAPTMEN1KMT2AGAA
SCHEMBL7728745 0.87 MAPT (0.44) TGM2MAPTMEN1KMT2APOLB
SCHEMBL7734014 0.84 GAA (0.40) TGM2MAPTMEN1KMT2AGAA
SCHEMBL7722097 0.83 TGM2 (0.39) TGM2MAPTMC4RLMNA
SCHEMBL7727837 0.82 SIGMAR1 (0.43) HSD11B1
SCHEMBL7728662 0.79 DPP4 (0.42) TGM2MEN1KMT2AHSD11B1
SCHEMBL7730641 0.79 NPBWR1 (0.39) TGM2POLBLMNA
SCHEMBL7722094 0.79 GPR119 (0.36)
SCHEMBL7722244 0.79 GPR119 (0.36)
SCHEMBL7730976 0.77 MCL1 (0.44) HSD11B1

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