SCHEMBL7730697

SCHEMBL7730697

CC(C)(C)OC(=O)N1C[C@H](N(C(=O)CN)C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 3/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TGM2 P21980 1/20 0.38
MAPT P10636 6/20 0.38
LMNA P02545 5/20 0.38
ALDH1A1 P00352 4/20 0.38
TP53 P04637 1/20 0.38
MC4R P32245 2/20 0.37
GAA P10253 1/20 0.37
AKR1C3 P42330 2/20 0.36
TSHR P16473 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL7734014 0.91 GAA (0.40) HTTMEN1KMT2ATGM2MAPT
SCHEMBL7728745 0.91 MAPT (0.44) SMN1; SMN2NPSR1MEN1KMT2ATGM2
SCHEMBL7722004 0.88 TGM2 (0.40) SMN1; SMN2MEN1KMT2ATGM2MAPT
SCHEMBL7722094 0.81 GPR119 (0.36) GPR119
SCHEMBL7722244 0.81 GPR119 (0.36) GPR119
SCHEMBL7728192 0.80 POLB (0.47) MEN1KMT2AALDH1A1
SCHEMBL7727837 0.78 SIGMAR1 (0.43) L3MBTL1
SCHEMBL7730641 0.78 NPBWR1 (0.39) NPSR1TGM2LMNAGPR119
SCHEMBL7727754 0.77 POLB (0.44) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL7728662 0.76 DPP4 (0.42) MEN1KMT2ATGM2

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