SCHEMBL5407828

SCHEMBL5407828

COC(=O)C(Cc1ccccc1)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 2/20 0.51
GPR119 Q8TDV5 1/20 0.48
STS P08842 1/20 0.48
ACHE P22303 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46
GFER P55789 1/20 0.46
P2RX7 Q99572 3/20 0.45
GLS O94925 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4402076 0.85 GPR119 (0.45) YAP1GPR119STSACHEKDM4E
SCHEMBL16868764 0.85 MAPT (0.57) YAP1POLBMEN1KMT2A
SCHEMBL18481442 0.83 KDM1A (0.47) YAP1STSCYP3A4MEN1KMT2A
SCHEMBL12512936 0.81 ALDH1A1 (0.45) KDM4EMEN1KMT2A
SCHEMBL31189365 0.80 CTSB (0.43) YAP1GPR119STSACHEP2RX7
SCHEMBL5413838 0.80 GPR119 (0.47) YAP1GPR119STSACHEKDM4E
SCHEMBL1683002 0.79 RAB9A (0.58) CYP3A4CYP2D6CYP2C9CYP2C19POLB
SCHEMBL14244893 0.79 SYK (0.53) YAP1GPR119CYP2C19P2RX7MEN1
SCHEMBL27853832 0.79 SYK (0.53) YAP1GPR119CYP2C19P2RX7MEN1
SCHEMBL5083759 0.79 ALDH1A1 (0.61) GPR119KDM4EPKMCYP3A4CYP2D6

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 4 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-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