SCHEMBL7149525

SCHEMBL7149525

CCC[CH]n1cnc2ncccc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.35
ASAH1 Q13510 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
BACE1 P56817 1/20 0.31
CYP2C9 P11712 1/20 0.31
IDO1 P14902 1/20 0.31
KMT2A Q03164 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
SCHEMBL7103803 0.74 PDE10A (0.38) KMT2A
SCHEMBL7109675 0.74 HDAC6 (0.34) LTA4H
SCHEMBL2570930 0.74 ALDH1A1 (0.38) LTA4HMKNK1MKNK2BACE1IDO1
SCHEMBL1165290 0.74 LTA4H (0.38) LTA4HMKNK1MKNK2BACE1KMT2A
SCHEMBL7197967 0.72 LTA4H (0.33) LTA4HBACE1KMT2A
SCHEMBL3960228 0.71 LTA4H (0.52) LTA4HASAH1
SCHEMBL231309 0.70 LTA4H (0.48) LTA4HMKNK1MKNK2BACE1KMT2A
SCHEMBL7105947 0.70 LTA4H (0.35) LTA4HCYP2C9IDO1
SCHEMBL7154569 0.70 FGFR1 (0.43) LTA4HMKNK1MKNK2CYP2C9IDO1
SCHEMBL10163442 0.69 LTA4H (0.50) LTA4HASAH1KMT2A

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 10 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
EP-1345953-A2 KETOLIDE ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-24 EP disclosed
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
WO-2002032918-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-04-25 WO 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