SCHEMBL17675682

SCHEMBL17675682

CC(C)CC(CCl)c1nc2cc(CNC(=O)OC(C)(C)C)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.44
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GRM2 Q14416 1/20 0.41
RECQL P46063 1/20 0.40
GPR55 Q9Y2T6 2/20 0.40
POLB P06746 1/20 0.40
BCHE P06276 1/20 0.39
HPN P05981 1/20 0.38
XBP1 P17861 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ROCK2 O75116 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
DYRK1A Q13627 1/20 0.36
NTSR1 P30989 1/20 0.36

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
SCHEMBL2868955 0.86 ALDH1A1 (0.39) AAK1MAPTNPSR1TDP1KDM4E
SCHEMBL17493990 0.78 AAK1 (0.49) AAK1BCHE
SCHEMBL7447720 0.77 GRM2 (0.49) MAPTNPSR1TDP1L3MBTL1GRM2
SCHEMBL17515956 0.77 AAK1 (0.44) AAK1MAPTNPSR1POLBBCHE
SCHEMBL2866759 0.77 ALDH1A1 (0.39) AAK1MAPTNPSR1TDP1POLB
SCHEMBL17516167 0.76 AAK1 (0.46) AAK1MAPTNPSR1POLBBCHE
Hydrochloric Acid SCHEMBL17416399 0.76 KMT2A (0.33) AAK1MAPTKDM4E
SCHEMBL17494035 0.76 AAK1 (0.63) AAK1BCHE
SCHEMBL12798924 0.73 AAK1 (0.48) AAK1MAPTL3MBTL1BCHE
SCHEMBL7921079 0.72 AAK1 (0.47) AAK1MAPTL3MBTL1BCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204375-A1 SPIRO-INDOLINES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION (RSV) Reviral Limited (GB) 2017-08-16 EP disclosed
WO-2016055780-A1 SPIRO-INDOLINES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION (RSV) RE:VIRAL LTD (GB) 2016-04-14 WO disclosed