SCHEMBL9821045

SCHEMBL9821045

CC(C)(C)NCOCc1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.41
SLC6A4 P31645 13/20 0.41
HTR2A P28223 10/20 0.41
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 3/20 0.39
AGXT P21549 2/20 0.39
RIPK1 Q13546 1/20 0.38
CACNA1C Q13936 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35

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
SCHEMBL17658902 0.78 MEN1 (0.47) HTR2CSLC6A4HTR2AMEN1PKM
SCHEMBL9820969 0.74 KMT2A (0.39) MEN1PKMKMT2AIDO1RIPK1
SCHEMBL18213802 0.74 HTR2C (0.43) HTR2CSLC6A4HTR2AIDO1AGXT
SCHEMBL3162264 0.72 IDO1 (0.41) HTR2CSLC6A4HTR2AIDO1AGXT
SCHEMBL12016019 0.71 IDO1 (0.44) HTR2CSLC6A4HTR2AMEN1KMT2A
SCHEMBL20002817 0.70 RORC (0.41) HTR2CSLC6A4HTR2AIDO1AGXT
SCHEMBL28106428 0.70 MMP2 (0.40) HTR2CSLC6A4HTR2AMEN1KMT2A
SCHEMBL3070088 0.69 MMP2 (0.41) HTR2CSLC6A4HTR2AIDO1AGXT
SCHEMBL13544214 0.68 MMP2 (0.50) HTR2CSLC6A4HTR2AKMT2ARIPK1
SCHEMBL16886255 0.68 IDO1 (0.41) HTR2CSLC6A4HTR2AIDO1AGXT

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
EP-0224001-B1 ANTHRANILONITRILE DERIVATIVES AND RELATED COMPOUNDS AS USEFUL AGENTS FOR PROMOTING GROWTH, IMPROVING FEED EFFICIENCY, AND FOR INCREASING THE LEAN MEAT TO FAT RATIO OF WARM-BLOODED ANIMALS AMERICAN CYANAMID COMPANY (US) 1991-03-20 EP claimed