SCHEMBL18166295

SCHEMBL18166295

Cc1ccc(-c2cc(OC(=O)NCc3cccc(F)n3)cc(-n3nnnc3C(C)C)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
MAP3K5 Q99683 7/20 0.34
KDM5B Q9UGL1 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 1/20 0.32
EPHX1 P07099 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL18166384 0.92 P2RX3 (0.36) P2RX3P2RX2MAP3K5EPHX1ALOX5
SCHEMBL18166448 0.90 P2RX3 (0.35) P2RX3P2RX2MAP3K5CYP1A2CYP3A4
SCHEMBL10244191 0.87 P2RX3 (0.44) P2RX3P2RX2KDM5BLMNA
SCHEMBL18166446 0.83 P2RX3 (0.45) P2RX3P2RX2
SCHEMBL18166368 0.83 P2RX3 (0.47) P2RX3P2RX2MEN1KMT2AEPHX1
SCHEMBL18166275 0.82 P2RX3 (0.38) P2RX3P2RX2MAP3K5MEN1LMNA
SCHEMBL18166430 0.81 ADORA2A (0.41) P2RX3P2RX2MAP3K5LMNAEPHX1
SCHEMBL18166317 0.81 P2RX3 (0.37) P2RX3P2RX2MEN1LMNACYP1A2
SCHEMBL18166336 0.81 P2RX3 (0.40) P2RX3P2RX2MAPT
SCHEMBL18166413 0.80 P2RX3 (0.41) P2RX3P2RX2MAP3K5LMNAMAPT

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