SCHEMBL30102438

SCHEMBL30102438

CC(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
GHSR Q92847 6/20 0.54
HRH3 Q9Y5N1 5/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ROCK2 O75116 1/20 0.52
SRD5A1 P18405 1/20 0.50
DHODH Q02127 1/20 0.46
YAP1 P46937 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
NOTUM Q6P988 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL3905087 1.00 PDK1 (0.54) PDK1PDK2PDK3PDK4GHSR
SCHEMBL3902299 0.96 PDK1 (0.51) PDK1PDK2PDK3PDK4GHSR
SCHEMBL3903665 0.94 GHSR (0.49) PDK1PDK2PDK3PDK4GHSR
SCHEMBL3903564 0.92 NPC1 (0.48) PDK1PDK2PDK3PDK4GHSR
SCHEMBL17321358 0.91 HRH3 (0.53) PDK1PDK2PDK3PDK4GHSR
SCHEMBL3905150 0.88 GHSR (0.45) PDK1PDK2PDK3PDK4GHSR
SCHEMBL13957119 0.86 DHODH (0.45) PDK1PDK2PDK3PDK4GHSR
SCHEMBL3907882 0.85 TACR1 (0.48) GHSRSRD5A1DHODHGPR119MAOA
SCHEMBL3902842 0.84 PTPN1 (0.47) PDK1PDK2PDK3PDK4GHSR
SCHEMBL3912242 0.84 POLB (0.43) PDK1PDK2PDK3PDK4GHSR

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
CN-112384506-B Indoline-1-formamide compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2023-01-24 CN disclosed