SCHEMBL20141639

SCHEMBL20141639

CC(C)(C)OC(=O)N1CCN(c2c(C#N)ccc3cc[nH]c23)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 8/20 0.43
▸ RET P07949 5/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ EGLN2 Q96KS0 1/20 0.39
▸ IDO1 P14902 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
SCHEMBL20140820 0.83 LMNA (0.43) GPR119ALDH1A1LMNAMAPTCKS1B
SCHEMBL5205461 0.77 IDO1 (0.48) GPR119ALDH1A1LMNAMAPTCKS1B
SCHEMBL30885785 0.77 IDO1 (0.48) GPR119ALDH1A1LMNAMAPTCKS1B
SCHEMBL5762899 0.74 ACHE (0.47) GPR119ALDH1A1LMNAMAPTCKS1B
SCHEMBL652792 0.74 GRM5 (0.53) GPR119ALDH1A1LMNAMAPTCKS1B
SCHEMBL24990173 0.74 MAPT (0.53) GPR119RETALDH1A1LMNAMAPT
SCHEMBL6098788 0.74 ESR2 (0.48) GPR119NR1H2IDO1
Trifluoroacetic Acid SCHEMBL20142184 0.73 IRAK4 (0.41) ALDH1A1
SCHEMBL31651879 0.73 EGLN2 (0.44) GPR119ALDH1A1LMNAMAPTCKS1B
SCHEMBL24989016 0.73 MAPT (0.53) RETALDH1A1LMNAMAPTNR1H2

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed
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