SCHEMBL18166397

SCHEMBL18166397

CCc1nnnn1-c1cc(OC(=O)NCc2ccc(NC)nc2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.46
P2RX2 Q9UBL9 1/20 0.46
TRPV1 Q8NER1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
EPHX1 P07099 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 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
SCHEMBL18166435 0.91 P2RX3 (0.48) P2RX3P2RX2TRPV1SMN1; SMN2MAPT
SCHEMBL18166323 0.90 P2RX3 (0.47) P2RX3P2RX2TRPV1SMN1; SMN2MAPT
SCHEMBL18166351 0.89 P2RX3 (0.46) P2RX3P2RX2TRPV1SMN1; SMN2MAPT
SCHEMBL18166399 0.88 P2RX3 (0.46) P2RX3P2RX2TRPV1SMN1; SMN2MAPT
SCHEMBL10243747 0.87 P2RX3 (0.57) P2RX3P2RX2MAPTLMNAKDM4E
SCHEMBL18166332 0.85 EPHX1 (0.52) P2RX3P2RX2MAPTEPHX1LMNA
SCHEMBL18166392 0.85 P2RX3 (0.50) P2RX3P2RX2SMN1; SMN2MAPTEPHX1
SCHEMBL18166436 0.84 P2RX3 (0.53) P2RX3P2RX2TRPV1MAPTLMNA
SCHEMBL18166311 0.83 P2RX3 (0.49) P2RX3P2RX2MAPTLMNA
SCHEMBL18166272 0.83 P2RX3 (0.47) P2RX3P2RX2SMN1; SMN2MAPTEPHX1

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