SCHEMBL7964819

SCHEMBL7964819

NCC(N)COCc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
PNMT P11086 1/20 0.47
TAAR1 Q96RJ0 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAOB P27338 1/20 0.42
TACR1 P25103 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
NR4A2 P43354 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 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
SCHEMBL7964814 1.00 IDO1 (0.52) IDO1PNMTTAAR1MEN1KMT2A
SCHEMBL7312106 0.85 IDO1 (0.50) IDO1PNMTTAAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL7312436 0.83 IDO1 (0.51) IDO1PNMTTAAR1MEN1KMT2A
SCHEMBL4988232 0.83 TACR1 (0.59) IDO1TACR1
SCHEMBL7965694 0.79 IDO1 (0.52) IDO1TAAR1MAOBTACR1ALDH1A1
SCHEMBL7965699 0.79 IDO1 (0.52) IDO1TAAR1MAOBTACR1ALDH1A1
SCHEMBL7955676 0.79 IDO1 (0.52) IDO1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7955669 0.79 IDO1 (0.52) IDO1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL25183077 0.79 SLC1A5 (0.53) IDO1MEN1KMT2AMAOBNR4A2
SCHEMBL25183076 0.79 SLC1A5 (0.53) IDO1MEN1KMT2AMAOBNR4A2

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