SCHEMBL7734012

SCHEMBL7734012

CC(C)(C)OC(=O)NCC(=O)NC1C[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
HTT P42858 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 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
SCHEMBL7734015 1.00 TGM2 (0.41) TGM2GAASMN1; SMN2CYP2C19CYP1A2
SCHEMBL7734016 1.00 TGM2 (0.41) TGM2GAASMN1; SMN2CYP2C19CYP1A2
SCHEMBL7730693 0.92 SMN1; SMN2 (0.47) TGM2SMN1; SMN2CYP2C19MEN1KMT2A
SCHEMBL7730706 0.92 SMN1; SMN2 (0.47) TGM2SMN1; SMN2CYP2C19MEN1KMT2A
SCHEMBL7730702 0.92 SMN1; SMN2 (0.47) TGM2SMN1; SMN2CYP2C19MEN1KMT2A
SCHEMBL7728746 0.86 LMNA (0.44) TGM2SMN1; SMN2CYP2C19CYP1A2MEN1
SCHEMBL7728741 0.86 LMNA (0.44) TGM2SMN1; SMN2CYP2C19CYP1A2MEN1
SCHEMBL7728748 0.86 LMNA (0.44) TGM2SMN1; SMN2CYP2C19CYP1A2MEN1
SCHEMBL7722009 0.85 TGM2 (0.42) TGM2MEN1KMT2ALMNAMAPT
SCHEMBL7722007 0.85 TGM2 (0.42) TGM2MEN1KMT2ALMNAMAPT

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