SCHEMBL1508494

SCHEMBL1508494

CC(C)(C)CC[C@@H]1CC[C@@H](C(=O)O)N1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
AGTR2 P50052 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C19 P33261 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
FKBP1A P62942 1/20 0.41
HTT P42858 1/20 0.41
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
P2RX4 Q99571 1/20 0.40
PREP P48147 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL13567880 0.84 HTR2C (0.53) HTR2CAGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL1509090 0.84 HTR2C (0.53) HTR2CAGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL9546475 0.83 SMN1; SMN2 (0.52) HTR2CAGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL9546482 0.83 SMN1; SMN2 (0.52) HTR2CAGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL1508927 0.82 SMN1; SMN2 (0.51) HTR2CAGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL3610882 0.81 SMN1; SMN2 (0.46) HTR2CAGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL6121028 0.79 HTR2C (0.63) HTR2CAGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL1509015 0.79 HTR2C (0.63) HTR2CAGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL6121024 0.79 HTR2C (0.63) HTR2CAGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL7950602 0.79 HTR2C (0.63) HTR2CAGTR2SMN1; SMN2NPC1RAB9A

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-2298778-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING 4,7-DIAZASPIROÝ2.5¨OCTANE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2011-03-23 EP disclosed