SCHEMBL17698396

SCHEMBL17698396

CC1(C)OB(c2cccc(N3CC[CH]CC3)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.43
LPL P06858 8/20 0.43
IRAK4 Q9NWZ3 1/20 0.36
ADRA2C P18825 1/20 0.34
ROCK1 Q13464 1/20 0.34
ADRB1 P08588 2/20 0.33
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 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
SCHEMBL1701553 0.88 LPL (0.44) LIPGLPLIRAK4ADRA2CROCK1
SCHEMBL1726528 0.88 LPL (0.44) LIPGLPLIRAK4ADRA2CROCK1
SCHEMBL3762658 0.87 LPL (0.43) LIPGLPLIRAK4ADRA2CROCK1
SCHEMBL2192867 0.87 LPL (0.43) LIPGLPLIRAK4ADRA2CROCK1
SCHEMBL2940900 0.85 ADRA2C (0.51) LIPGLPLADRA2CHTR3A
SCHEMBL31298214 0.85 ADRA2C (0.51) LIPGLPLADRA2CHTR3A
SCHEMBL856181 0.85 LMNA (0.46) LIPGLPL
SCHEMBL29790026 0.85 LMNA (0.46) LIPGLPL
SCHEMBL14321720 0.85 FAAH (0.41) LIPGLPL
SCHEMBL15464977 0.84 ADRB1 (0.53) ADRB1HTR3EHTR3BHTR3AHTR3D

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-2723741-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2016-04-27 EP disclosed