SCHEMBL15501116

SCHEMBL15501116

COc1cc(NC(=O)N2C=CC(=O)C[C@H]2c2ccc(C)cc2)c(Br)cc1C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.71
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.34
RBP4 P02753 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL1099424 0.93 P2RX7 (0.83) P2RX7HTR2AHTR2CHTR2B
SCHEMBL1099236 0.83 P2RX7 (1.00) P2RX7KMT2APOLB
SCHEMBL1099960 0.83 P2RX7 (0.88) P2RX7
SCHEMBL1100203 0.83 P2RX7 (1.00) P2RX7
SCHEMBL1100166 0.81 P2RX7 (1.00) P2RX7MEN1KMT2A
SCHEMBL1099956 0.80 P2RX7 (0.74) P2RX7MAPTLMNANPSR1
SCHEMBL1099212 0.80 P2RX7 (0.74) P2RX7MAPTLMNANPSR1
SCHEMBL1099254 0.80 P2RX7 (0.86) P2RX7
SCHEMBL1100350 0.80 P2RX7 (0.74) P2RX7MAPTLMNANPSR1
SCHEMBL1099251 0.80 P2RX7 (0.86) P2RX7

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-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed