SCHEMBL7965694

SCHEMBL7965694

NC[C@H](N)COCc1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 1/20 0.40
TACR1 P25103 8/20 0.39
PARP10 Q53GL7 1/20 0.39
MAPT P10636 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL7965699 1.00 IDO1 (0.52) IDO1TAAR1ALDH1A1TACR1PARP10
SCHEMBL7964819 0.79 IDO1 (0.52) IDO1TAAR1ALDH1A1TACR1MAOB
SCHEMBL7955669 0.79 IDO1 (0.52) IDO1TAAR1ALDH1A1TACR1PARP10
SCHEMBL7955676 0.79 IDO1 (0.52) IDO1TAAR1ALDH1A1TACR1PARP10
SCHEMBL7964814 0.79 IDO1 (0.52) IDO1TAAR1ALDH1A1TACR1MAOB
SCHEMBL7956663 0.77 IDO1 (0.54) IDO1TAAR1ALDH1A1TACR1MAPT
SCHEMBL3865796 0.77 IDO1 (0.67) IDO1TAAR1ALDH1A1PARP10MAPT
SCHEMBL7965700 0.76 TACR1 (0.59) IDO1TACR1
SCHEMBL7967707 0.76 TACR1 (0.59) IDO1TACR1
SCHEMBL2781643 0.76 TACR1 (0.59) IDO1TACR1

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