SCHEMBL7728746

SCHEMBL7728746

CC(C)(C)OC(=O)NCC(=O)NC1C[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPT P10636 3/20 0.43
TGM2 P21980 1/20 0.43
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
HTT P42858 2/20 0.38

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
SCHEMBL7728748 1.00 LMNA (0.44) LMNAMAPTTGM2TSHRCYP1A2
SCHEMBL7728741 1.00 LMNA (0.44) LMNAMAPTTGM2TSHRCYP1A2
SCHEMBL7730702 0.91 SMN1; SMN2 (0.47) LMNAMAPTTGM2TSHRCYP2C19
SCHEMBL7730693 0.91 SMN1; SMN2 (0.47) LMNAMAPTTGM2TSHRCYP2C19
SCHEMBL7730706 0.91 SMN1; SMN2 (0.47) LMNAMAPTTGM2TSHRCYP2C19
SCHEMBL7722009 0.88 TGM2 (0.42) LMNAMAPTTGM2KMT2AMEN1
SCHEMBL7722007 0.88 TGM2 (0.42) LMNAMAPTTGM2KMT2AMEN1
SCHEMBL7722003 0.88 TGM2 (0.42) LMNAMAPTTGM2KMT2AMEN1
SCHEMBL7734015 0.86 TGM2 (0.41) LMNAMAPTTGM2CYP1A2CYP3A4
SCHEMBL7734016 0.86 TGM2 (0.41) LMNAMAPTTGM2CYP1A2CYP3A4

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 2 patents. 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
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed