SCHEMBL6989033

SCHEMBL6989033

CC(C)(C)OC(=O)C(C1CCNCC1)N1CCN(C(=O)CNc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.45
CACNA1B Q00975 2/20 0.45
CACNB1 Q02641 2/20 0.45
MC4R P32245 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6990562 0.77 CACNA2D1 (0.40) CACNA2D1CACNA1BCACNB1SIGMAR1GPR119
SCHEMBL4844156 0.75 GPR119 (0.55) SIGMAR1GPR119ALDH1A1KDM4EHTT
SCHEMBL6985406 0.75 ACHE (0.44) CACNA2D1CACNA1BCACNB1GPR119ALDH1A1
SCHEMBL6988541 0.75 SIGMAR1 (0.35) SIGMAR1
SCHEMBL6299819 0.73 KCNA3 (0.53) SIGMAR1GPR119ALDH1A1MEN1TSHR
SCHEMBL4382303 0.73 HPGD (0.38) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL10282674 0.72 POLB (0.58) SIGMAR1ALDH1A1KDM4EHTTRAB9A
SCHEMBL7797107 0.71 NPR3 (0.42) GPR119TSHRKMT2AL3MBTL1
SCHEMBL4838884 0.71 KDM4E (0.54) CACNA2D1CACNA1BCACNB1SIGMAR1GPR119
SCHEMBL6580060 0.70 KCNA3 (0.47) ALDH1A1MEN1TSHRKMT2AL3MBTL1

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-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed