SCHEMBL18166457

SCHEMBL18166457

CC(NC(=O)Oc1cc(-c2ccc(F)cc2F)cc(-n2nnnc2C2CC2)c1)c1cnccn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.42
P2RX2 Q9UBL9 5/20 0.42
ACKR3 P25106 7/20 0.39
KCNK3 O14649 3/20 0.36
PRCP P42785 1/20 0.35
TP53 P04637 1/20 0.34
FAAH O00519 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
SCHEMBL18166423 0.93 P2RX3 (0.40) P2RX3P2RX2ACKR3KCNK3PRCP
SCHEMBL18166337 0.89 P2RX3 (0.45) P2RX3P2RX2ACKR3KCNK3
SCHEMBL10244905 0.88 P2RX3 (0.55) P2RX3P2RX2ACKR3
SCHEMBL18166402 0.88 P2RX3 (0.43) P2RX3P2RX2ACKR3KCNK3FAAH
SCHEMBL18166415 0.87 P2RX3 (0.56) P2RX3P2RX2ACKR3KCNK3
SCHEMBL18166405 0.86 P2RX3 (0.56) P2RX3P2RX2
SCHEMBL18036369 0.84 TP53 (0.37) P2RX3P2RX2ACKR3PRCPTP53
SCHEMBL18036377 0.82 TP53 (0.38) ACKR3PRCPTP53FAAH
SCHEMBL18166463 0.82 P2RX3 (0.49) P2RX3P2RX2
SCHEMBL18166358 0.81 P2RX3 (0.44) P2RX3P2RX2ACKR3KCNK3

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