SCHEMBL7730706

SCHEMBL7730706

CC(C)(C)OC(=O)NCC(=O)N[C@@H]1C[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 1/20 0.47
TGM2 P21980 1/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ALOX5 P09917 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 5/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 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
SCHEMBL7730693 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1HTTTGM2KMT2A
SCHEMBL7730702 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1HTTTGM2KMT2A
SCHEMBL7734016 0.92 TGM2 (0.41) SMN1; SMN2NPSR1HTTTGM2KMT2A
SCHEMBL7734012 0.92 TGM2 (0.41) SMN1; SMN2NPSR1HTTTGM2KMT2A
SCHEMBL7734015 0.92 TGM2 (0.41) SMN1; SMN2NPSR1HTTTGM2KMT2A
SCHEMBL7728748 0.91 LMNA (0.44) SMN1; SMN2NPSR1HTTTGM2KMT2A
SCHEMBL7728746 0.91 LMNA (0.44) SMN1; SMN2NPSR1HTTTGM2KMT2A
SCHEMBL7728741 0.91 LMNA (0.44) SMN1; SMN2NPSR1HTTTGM2KMT2A
SCHEMBL7722007 0.88 TGM2 (0.42) TGM2KMT2AMEN1MAPTLMNA
SCHEMBL7722003 0.88 TGM2 (0.42) TGM2KMT2AMEN1MAPTLMNA

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