SCHEMBL7981763

SCHEMBL7981763

COc1ccc(CNCCCCCCNCCO)cc1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.84
SLC2A1 P11166 1/20 0.57
KDM4E B2RXH2 2/20 0.55
SCN8A Q9UQD0 1/20 0.54
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL1779582 0.92 CHRM2 (0.68) CHRM2KDM4ESCN8APOLBMEN1
Hydrochloric Acid SCHEMBL27669851 0.90 CHRM2 (0.66) CHRM2KDM4ESCN8APOLBMEN1
SCHEMBL536987 0.88 CHRM2 (0.74) CHRM2SLC2A1KDM4ESCN8APOLB
SCHEMBL22839742 0.88 CHRM2 (0.92) CHRM2SLC2A1KDM4ESCN8AMEN1
Hydrochloric Acid SCHEMBL29079569 0.87 CHRM2 (0.72) CHRM2SLC2A1KDM4ESCN8APOLB
SCHEMBL2930997 0.84 CHRM2 (0.85) CHRM2SLC2A1KDM4ESCN8AMEN1
SCHEMBL20870837 0.83 CHRM2 (0.83) CHRM2SLC2A1KDM4ESCN8AGAA
SCHEMBL29335922 0.83 CHRM2 (0.83) CHRM2SLC2A1KDM4ESCN8AGAA
SCHEMBL20850579 0.83 CHRM2 (0.83) CHRM2SLC2A1KDM4ESCN8AGAA
SCHEMBL4919379 0.82 CHRM2 (0.81) CHRM2KDM4ESCN8AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214833-B1 MADE BY ACYLATION ZAMBON GROUP S.P.A. (IT) 2001-04-10 US disclosed
EP-0797579-B1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON SPA (IT) 2000-03-15 EP disclosed
EP-0970075-A1 PYRIMIDINONE-1,3-OXATHIOLANE DERIVATIVES WITH ANTIVIRAL ACTIVITY ZAMBON GROUP S.p.A. (IT) 2000-01-12 EP disclosed
WO-1998043972-A1 PYRIMIDINONE-1,3-OXATHIOLANE DERIVATIVES WITH ANTIVIRAL ACTIVITY ZAMBON GROUP S.P.A. (IT) 1998-10-08 WO disclosed