SCHEMBL7103803

SCHEMBL7103803

CCC[CH]n1cnc2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.38
MEN1 O00255 2/20 0.37
PABPC1 P11940 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
MAPT P10636 2/20 0.33
ELANE P08246 1/20 0.33
POLB P06746 2/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32

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
SCHEMBL8551211 0.87 MEN1 (0.38) PDE10AMEN1PABPC1KMT2ATP53
SCHEMBL7102527 0.75 FDPS (0.39) MEN1KMT2AUSP2LMNATSHR
SCHEMBL7149525 0.74 LTA4H (0.35) KMT2A
SCHEMBL8710076 0.74 TP53 (0.41) PDE10AMEN1PABPC1KMT2ATP53
SCHEMBL8970101 0.70 MEN1 (0.51) PDE10AMEN1PABPC1KMT2ATP53
SCHEMBL7105947 0.70 LTA4H (0.35) TP53MAPTLMNA
SCHEMBL7154569 0.70 FGFR1 (0.43) TP53MAPTLMNA
SCHEMBL13749571 0.68 MEN1 (0.46) MEN1PABPC1KMT2ATP53MAPT
SCHEMBL84705 0.67 GRM5 (0.46) MEN1PABPC1KMT2ATP53PDE4A
SCHEMBL27361024 0.67 MEN1 (0.48) MEN1PABPC1KMT2ATP53MAPT

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