SCHEMBL3975835

SCHEMBL3975835

CC(C)(C)OC(=O)N1CCN(c2ccc(CCN)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.59
AOC3 Q16853 1/20 0.53
MAP4K4 O95819 1/20 0.52
WNT3A P56704 1/20 0.52
CKS1B P61024 2/20 0.51
SKP1 P63208 2/20 0.51
SKP2 Q13309 2/20 0.51
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADK P55263 1/20 0.48
RET P07949 3/20 0.47
TBK1 Q9UHD2 1/20 0.47

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
SCHEMBL31662843 0.91 GPR119 (0.61) GPR119AOC3MAP4K4WNT3ACKS1B
SCHEMBL3975617 0.89 GPR119 (0.60) GPR119AOC3MAP4K4WNT3ACKS1B
SCHEMBL24478929 0.88 GPR119 (0.59) GPR119AOC3MAP4K4WNT3ACKS1B
SCHEMBL30539162 0.88 GPR119 (0.59) GPR119AOC3MAP4K4WNT3ACKS1B
SCHEMBL20120820 0.87 GPR119 (0.58) GPR119AOC3MAP4K4WNT3ACKS1B
SCHEMBL31627702 0.87 GPR119 (0.58) GPR119AOC3MAP4K4WNT3ACKS1B
SCHEMBL29773872 0.87 GPR119 (0.58) GPR119AOC3MAP4K4WNT3ACKS1B
SCHEMBL26759314 0.87 GPR119 (0.62) GPR119MAP4K4WNT3ACKS1BSKP1
SCHEMBL20425026 0.85 GPR119 (0.60) GPR119AOC3MAP4K4WNT3ACKS1B
SCHEMBL31420076 0.85 GPR119 (0.60) GPR119AOC3MAP4K4WNT3ACKS1B

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-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO disclosed