SCHEMBL18036331

SCHEMBL18036331

Cc1ccc(-c2cc(OC(=O)NC(C)CO)cc(-n3nnnc3C3CC3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.40
P2RX2 Q9UBL9 2/20 0.40
MAPT P10636 2/20 0.39
FAAH O00519 1/20 0.34
MGLL Q99685 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
SCHEMBL18036344 0.91 MAPT (0.40) P2RX3P2RX2MAPT
SCHEMBL10243997 0.85 P2RX3 (0.55) P2RX3P2RX2
SCHEMBL10243493 0.85 P2RX3 (0.55) P2RX3P2RX2
SCHEMBL18036401 0.85 P2RX3 (0.41) P2RX3P2RX2MAPT
SCHEMBL18036427 0.84 P2RX3 (0.40) P2RX3P2RX2MAPTFAAHMGLL
SCHEMBL18036400 0.84 P2RX3 (0.53) P2RX3P2RX2MAPT
SCHEMBL18036343 0.84 P2RX3 (0.40) P2RX3P2RX2MAPTFAAHMGLL
SCHEMBL18036457 0.84 P2RX3 (0.53) P2RX3P2RX2MAPT
SCHEMBL18036369 0.84 TP53 (0.37) P2RX3P2RX2MAPTFAAH
SCHEMBL18036397 0.84 P2RX3 (0.45) P2RX3P2RX2MAPT

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-2592070-B1 Tetrazole-substituted arylamides HOFFMANN LA ROCHE (CH) 2016-08-31 EP claimed