SCHEMBL7956261

SCHEMBL7956261

[CH2]OCc1ccnc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
NCF1 P14598 1/20 0.47
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FERMT2 Q96AC1 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL5012674 0.81 LOXL2 (0.63) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL3142083 0.81 LOXL2 (0.58) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL14074972 0.80 LOXL2 (0.53) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL10549183 0.79 LOXL2 (0.56) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL12853963 0.78 LOXL2 (0.55) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL3817375 0.78 LOXL2 (0.64) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL10872972 0.77 LOXL2 (0.53) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL28086034 0.77 LOXL2 (0.53) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL334360 0.75 LOXL2 (0.67) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL31599195 0.75 LOXL2 (0.67) LOXL2NCF1HTR1AADRA1DADRA1A

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-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US claimed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP claimed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO claimed
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed