SCHEMBL7955762

SCHEMBL7955762

NC[C@H](N)COCc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
MAOB P27338 5/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
TACR1 P25103 5/20 0.42
TAAR1 Q96RJ0 1/20 0.41
SLC1A1 P43005 1/20 0.37
APP P05067 1/20 0.37
NR4A2 P43354 1/20 0.37
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL7964945 1.00 IDO1 (0.48) IDO1AGXTMAOBLOXL2TACR1
SCHEMBL6977485 0.84 IDO1 (0.47) IDO1AGXTMAOBLOXL2TACR1
SCHEMBL5025103 0.83 IDO1 (0.43) IDO1AGXTMAOBLOXL2TACR1
SCHEMBL2781643 0.82 TACR1 (0.59) IDO1AGXTTACR1SLC1A1
SCHEMBL7965700 0.82 TACR1 (0.59) IDO1AGXTTACR1SLC1A1
SCHEMBL7967707 0.82 TACR1 (0.59) IDO1AGXTTACR1SLC1A1
Hydrochloric Acid SCHEMBL6983593 0.82 IDO1 (0.48) IDO1AGXTMAOBLOXL2TACR1
SCHEMBL7971279 0.81 IDO1 (0.48) IDO1MAOBTACR1TAAR1SLC1A1
SCHEMBL7968337 0.81 CHRNB2 (0.50) IDO1AGXTMAOBTACR1
SCHEMBL7964719 0.81 IDO1 (0.48) IDO1MAOBTACR1TAAR1SLC1A1

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 3 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 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