SCHEMBL8185051

SCHEMBL8185051

CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CN)CS[C@H]12)c1csc(N)n1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.86
▸ HTR2C P28335 1/20 0.86
▸ MAPT P10636 3/20 0.83
▸ PPARG P37231 2/20 0.83
▸ SLC22A6 Q4U2R8 2/20 0.83
▸ SLC22A8 Q8TCC7 2/20 0.83
▸ SLC22A11 Q9NSA0 2/20 0.83
▸ ALB P02768 1/20 0.83
▸ PGR P06401 3/20 0.73
▸ KMT2A Q03164 1/20 0.71
▸ DAO P14920 1/20 0.71
▸ SNCA P37840 1/20 0.71
▸ CYP2J2 P51589 1/20 0.71
▸ TDP1 Q9NUW8 6/20 0.71
▸ APEX1 P27695 3/20 0.71
▸ ABCC4 O15439 2/20 0.71
▸ HSD17B10 Q99714 2/20 0.71
▸ LMNA P02545 2/20 0.71
▸ L3MBTL1 Q9Y468 2/20 0.71
▸ CYP1A2 P05177 1/20 0.71

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
SCHEMBL10460326 1.00 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9593004 1.00 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
Trifluoroacetic Acid SCHEMBL10377498 0.95 NR1I2 (0.79) NR1I2HTR2CMAPTPPARGSLC22A6
Trifluoroacetic Acid SCHEMBL10377500 0.95 NR1I2 (0.79) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9371771 0.93 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL10761869 0.93 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL16118738 0.93 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL10554693 0.93 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL5679457 0.93 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL5679450 0.93 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6

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
EP-0997466-A1 Novel antimicrobial lactam-quinolones PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 2000-05-03 — — EP disclosed
US-5656623-A BACTERICIDES; ANTIBIOTICS THE PROCTER & GAMBLE COMPANY (US) 1997-08-12 — — US disclosed
US-5648346-A Antimicrobial carbacephem-quinolones THE PROCTER & GAMBLE COMPANY (US) 1997-07-15 — — US disclosed
US-5646139-A TREATING AND PREVENTING INFECTION THE PROCTER & GAMBLE COMPANY (US) 1997-07-08 — — US disclosed
US-5637580-A ANTIBIOTICS THE PROCTER & GAMBLE COMPANY (US) 1997-06-10 — — US disclosed
Send feedback