SCHEMBL7719643

SCHEMBL7719643

CC(c1ccccc1N)c1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
HSD11B1 P28845 4/20 0.40
ACP3 P15309 1/20 0.39
MPO P05164 1/20 0.39
IDO1 P14902 2/20 0.36
TDO2 P48775 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CNR2 P34972 1/20 0.36
MC4R P32245 1/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
CUL4A Q13619 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
SCHEMBL732167 0.82 CYP3A4 (0.47) ALDH1A1TDP1L3MBTL1HTR2CHTR2B
SCHEMBL29765571 0.82 CYP3A4 (0.47) ALDH1A1TDP1L3MBTL1HTR2CHTR2B
SCHEMBL13904847 0.78 ACP3 (0.42) P2RX7ACP3IDO1TDO2ALDH1A1
SCHEMBL28092744 0.78 ACP3 (0.39) P2RX7ACP3MPOIDO1TDO2
SCHEMBL686397 0.77 ACP3 (0.53) P2RX7HSD11B1ACP3IDO1TDO2
SCHEMBL334979 0.76 P2RX7 (0.47) P2RX7HSD11B1ACP3MPOIDO1
SCHEMBL1727762 0.76 P2RX7 (0.47) P2RX7HSD11B1ACP3MPOIDO1
SCHEMBL29808963 0.76 P2RX7 (0.47) P2RX7HSD11B1ACP3MPOIDO1
SCHEMBL1258401 0.76 P2RX7 (0.47) P2RX7HSD11B1ACP3MPOIDO1
SCHEMBL30303206 0.76 P2RX7 (0.47) P2RX7HSD11B1ACP3MPOIDO1

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-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed