SCHEMBL18166288

SCHEMBL18166288

Cc1ccc(-c2cc(OC(=O)NC(C)c3ccccn3)cc(-n3nnnc3C(C)C)c2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
WDR5 P61964 1/20 0.33
MAPK1 P28482 4/20 0.32
ADORA2A P29274 2/20 0.32
PPARG P37231 1/20 0.32
CNR1 P21554 5/20 0.32
MAP3K5 Q99683 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR2 P34972 2/20 0.31

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
SCHEMBL18166269 0.91 P2RX3 (0.38) P2RX3P2RX2MAPK1MAP3K5ALDH1A1
SCHEMBL18166271 0.90 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL10244572 0.87 P2RX3 (0.49) P2RX3P2RX2WDR5PPARG
SCHEMBL18166340 0.86 LMNA (0.36) P2RX3P2RX2MAPK1CNR1MAP3K5
SCHEMBL18166375 0.86 P2RX3 (0.35) P2RX3P2RX2MAP3K5ALDH1A1POLB
SCHEMBL18036329 0.84 P2RX3 (0.33) P2RX3P2RX2MAP3K5CNR2
SCHEMBL18036352 0.84 P2RX3 (0.33) P2RX3P2RX2MAP3K5CNR2
SCHEMBL18036373 0.82 DGAT2 (0.32)
SCHEMBL18166349 0.81 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL18166380 0.81 P2RX3 (0.48) P2RX3P2RX2

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-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed