SCHEMBL7956663

SCHEMBL7956663

COc1ccccc1COC[C@@H](N)CN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
TAAR1 Q96RJ0 1/20 0.50
ABCB1 P08183 1/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
AOC3 Q16853 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TACR1 P25103 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL7969377 0.86 IDO1 (0.53) IDO1TAAR1ABCB1GAAMAPT
SCHEMBL9350071 0.80 TAAR1 (0.56) IDO1TAAR1GAAMAPTALDH1A1
SCHEMBL28384840 0.79 IDO1 (0.66) IDO1TAAR1ABCB1GAAMAPT
SCHEMBL26654 0.78 IDO1 (0.69) IDO1TAAR1ABCB1GAAMAPT
Hydrochloric Acid SCHEMBL9350890 0.78 TAAR1 (0.55) IDO1TAAR1GAAMAPTALDH1A1
SCHEMBL7965699 0.77 IDO1 (0.52) IDO1TAAR1MAPTALDH1A1TACR1
SCHEMBL7955676 0.77 IDO1 (0.52) IDO1TAAR1MAPTALDH1A1L3MBTL1
SCHEMBL7964819 0.77 IDO1 (0.52) IDO1TAAR1GAAALDH1A1MEN1
SCHEMBL7965694 0.77 IDO1 (0.52) IDO1TAAR1MAPTALDH1A1TACR1
SCHEMBL7955669 0.77 IDO1 (0.52) IDO1TAAR1MAPTALDH1A1L3MBTL1

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 1 patent. 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 disclosed