SCHEMBL7212283

SCHEMBL7212283

O=C1c2ccccc2C(=O)N1CCCOc1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.62
MAPT P10636 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HSD17B10 Q99714 2/20 0.56
PKM P14618 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR1A P08908 1/20 0.51
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL8960362 0.95 RAB9A (0.56) RAB9AMAPTSMN1; SMN2HSD17B10PKM
SCHEMBL29263667 0.94 RAB9A (0.55) RAB9AMAPTSMN1; SMN2HSD17B10PKM
SCHEMBL8616882 0.82 MEN1 (0.56) RAB9AMAPTSMN1; SMN2HSD17B10PKM
SCHEMBL8619440 0.78 RAB9A (0.77) RAB9AMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL10956675 0.78 TDP1 (0.61) RAB9AMAPTSMN1; SMN2HSD17B10PKM
SCHEMBL34464350 0.77 RAB9A (0.54) RAB9AMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL21997883 0.77 RAB9A (0.54) RAB9AMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8616051 0.77 KDM4E (0.50) HTR1ACYP2D6CYP2C19KDM4ECYP2C9
Hydrochloric Acid SCHEMBL8618560 0.77 RAB9A (0.74) RAB9AMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7299163 0.77 RAB9A (1.00) RAB9AMAPTSMN1; SMN2HSD17B10PKM

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
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP disclosed
EP-0922050-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-06-16 EP disclosed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 WO disclosed