SCHEMBL7197971

SCHEMBL7197971

[CH2]C=CCn1cnc2ncccc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
AHCY P23526 3/20 0.38
TBXA2R P21731 1/20 0.38
TDP1 Q9NUW8 1/20 0.33
GRM2 Q14416 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
TRPA1 O75762 1/20 0.30
KMT2A Q03164 1/20 0.30
BRD4 O60885 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
SCHEMBL8875192 0.83 LTA4H (0.45) LTA4HAHCYTBXA2RTDP1KMT2A
SCHEMBL7151777 0.83 AHCY (0.43) LTA4HAHCYTBXA2RTDP1GRM2
SCHEMBL7151780 0.83 AHCY (0.43) LTA4HAHCYTBXA2RTDP1GRM2
SCHEMBL14198916 0.80 LTA4H (0.45) LTA4HAHCYTBXA2RTDP1GRM2
SCHEMBL12132428 0.79 LTA4H (0.40) LTA4HAHCYTBXA2RGRM2MKNK1
SCHEMBL7151801 0.76 TBXA2R (0.42) LTA4HTBXA2RKMT2A
SCHEMBL7151808 0.76 TBXA2R (0.42) LTA4HTBXA2RKMT2A
SCHEMBL4868652 0.75 LTA4H (0.52) LTA4HTBXA2RTDP1GRM2MKNK1
SCHEMBL3967817 0.74 LTA4H (0.48) LTA4HAHCYTBXA2RTDP1GRM2
SCHEMBL231309 0.74 LTA4H (0.48) LTA4HTBXA2RTDP1GRM2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399582-B1 GASTROINTESTINAL DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-06-04 US claimed
EP-1171447-A2 KETOLIDE ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-01-16 EP claimed
WO-2000062783-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-26 WO claimed
US-6590083-B1 Compounds of given formula; erythromycin derivatives; useful in the treatment of bacterial and protozoal infections and conditions involving gastric motility ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-08 US disclosed
US-6458771-B1 SERIES OF KETOLIDE ANTIBACTERIALS IN THE MACROLIDE FAMILY, DRUGS AND INTERMEDIATES, ERYTHROMYCIN ANALOGUES USEFUL IN THE TREATMENT OF BACTERIAL AND PROTOZOAL INFECTIONS AND IN THE TREATMENT OF GASTRIC MOTILITY ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-01 US disclosed
US-6399582-B1 GASTROINTESTINAL DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-06-04 US disclosed
EP-1171447-A2 KETOLIDE ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-01-16 EP disclosed
WO-2000062783-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-26 WO disclosed