SCHEMBL5407838

SCHEMBL5407838

COc1ccc(C(CN)N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
STS P08842 1/20 0.46
GPR119 Q8TDV5 2/20 0.45
POLB P06746 1/20 0.45
BACE1 P56817 2/20 0.44
CTSD P07339 1/20 0.44
CTSE P14091 1/20 0.44
CACNA2D1 P54289 2/20 0.44
CACNA1B Q00975 2/20 0.44
CACNB1 Q02641 2/20 0.44
CACNA1C Q13936 2/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
CACNA1G O43497 1/20 0.44

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
SCHEMBL14593336 0.88 GPR119 (0.48) ALDH1A1MAPTLMNASMN1; SMN2GPR119
SCHEMBL5417860 0.87 MEN1 (0.54) ALDH1A1MAPTSMN1; SMN2STSPOLB
SCHEMBL14593235 0.86 GLS (0.49) ALDH1A1MAPTSTSGPR119HTT
SCHEMBL2843983 0.85 MAPT (0.53) ALDH1A1MAPTGPR119CACNA2D1CACNA1B
SCHEMBL14593313 0.84 ALDH1A1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2STS
SCHEMBL31023690 0.84 ALDH1A1 (0.58) ALDH1A1MAPTLMNASMN1; SMN2STS
SCHEMBL14593385 0.82 MEN1 (0.46) MAPTSTSGPR119MAPK1KDM4E
SCHEMBL19668434 0.81 ALDH1A1 (0.55) ALDH1A1MAPTLMNASMN1; SMN2STS
SCHEMBL12701261 0.81 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2GPR119POLB
SCHEMBL14593237 0.80 ABCB1 (0.45) ALDH1A1GPR119KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-20040116699-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-06-17 US disclosed
EP-1358163-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-11-05 EP disclosed
WO-2002059095-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed