SCHEMBL7684507

SCHEMBL7684507

CC(=O)NCCSC(=O)NC(CC(=O)O)C(=O)Cn1nnc(Sc2c(Cl)cccc2Cl)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IDO1 P14902 2/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 2/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 3/20 0.32
GAA P10253 1/20 0.32
LTA4H P09960 1/20 0.31
CTSA P10619 1/20 0.31
LMNA P02545 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
THRB P10828 1/20 0.30
CASP3 P42574 1/20 0.30
CASP6 P55212 1/20 0.30

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
SCHEMBL7679637 0.89 MAPT (0.34) NPC1HPGDRAB9AL3MBTL1ALDH1A1
SCHEMBL7686539 0.89 CTSA (0.34) NPC1HPGDRAB9AL3MBTL1ALDH1A1
SCHEMBL7676798 0.88 CASP1 (0.37) ALDH1A1MAPTLTA4HLMNASMN1; SMN2
SCHEMBL7683819 0.88 ALDH1A1 (0.35) NPC1HPGDRAB9AL3MBTL1ALDH1A1
SCHEMBL7675970 0.87 CASP1 (0.36) NPC1HPGDRAB9AL3MBTL1HTT
SCHEMBL7683785 0.86 DGAT1 (0.33) ALDH1A1MAPTCTSALMNASMN1; SMN2
SCHEMBL7686237 0.85 RAB9A (0.35) NPC1RAB9AALDH1A1PKMMAPT
SCHEMBL7684324 0.85 MAPT (0.36) NPC1HPGDRAB9AL3MBTL1ALDH1A1
SCHEMBL7681039 0.84 CASP1 (0.36) NPC1HPGDRAB9AL3MBTL1HTT
SCHEMBL7684625 0.84 CASP1 (0.34) IDO1CTSACASP3TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US claimed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP claimed
US-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed