SCHEMBL7197967

SCHEMBL7197967

C/C=C/[CH]n1cnc2ncccc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.33
BACE1 P56817 1/20 0.32
KMT2A Q03164 2/20 0.31
HIF1A Q16665 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 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
SCHEMBL2570930 0.75 ALDH1A1 (0.38) LTA4HBACE1KMT2ANPC1RAB9A
SCHEMBL1165290 0.75 LTA4H (0.38) LTA4HBACE1KMT2A
SCHEMBL7149525 0.72 LTA4H (0.35) LTA4HBACE1KMT2A
SCHEMBL30178291 0.69 LTA4H (0.41) LTA4HBACE1KMT2AHIF1ANPC1
SCHEMBL256361 0.69 LTA4H (0.41) LTA4HBACE1KMT2AHIF1ANPC1
SCHEMBL7152983 0.67 HIF1A (0.37) LTA4HBACE1HIF1A
SCHEMBL31229913 0.66 LTA4H (0.39) LTA4HBACE1KMT2AHIF1ANPC1
SCHEMBL13378103 0.65 RPS6KA5 (0.38) LTA4HBACE1KMT2ANPC1RAB9A
SCHEMBL21295269 0.65 LTA4H (0.38) LTA4HBACE1KMT2ANPC1RAB9A
SCHEMBL1165560 0.65 LTA4H (0.38) LTA4HBACE1KMT2AHIF1ANPC1

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 6 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
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