SCHEMBL6602152

SCHEMBL6602152

CN(C)c1nc(NCC2(NC(=O)OC(C)(C)C)CCCCC2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 13/20 0.43
NPY5R Q15761 9/20 0.43
P2RX7 Q99572 1/20 0.42
SMO Q99835 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
MCHR1 Q99705 14/20 0.40
GBA1 P04062 1/20 0.37
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37

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
SCHEMBL3947626 0.80 CTNNB1 (0.48) ADRA2ANPY5RMEN1NPC1GAA
SCHEMBL1140966 0.77 P2RX7 (0.42) P2RX7SMOMEN1NPC1GAA
SCHEMBL6602703 0.76 ADRA2A (0.51) ADRA2ANPY5RMCHR1
SCHEMBL3936931 0.76 ADRA2A (0.63) ADRA2ANPY5RMCHR1
SCHEMBL3940127 0.76 ADRA2A (0.63) ADRA2ANPY5RMCHR1
SCHEMBL3936927 0.76 ADRA2A (0.63) ADRA2ANPY5RMCHR1
SCHEMBL3939397 0.74 ADRA2A (0.61) ADRA2ANPY5RMCHR1
SCHEMBL1141017 0.74 P2RX7 (0.40) P2RX7SMOMEN1NPC1GAA
SCHEMBL6614008 0.73 ADRA2A (0.52) ADRA2ANPY5RKMT2AMCHR1
SCHEMBL3938288 0.72 ABCG2 (0.47) ADRA2ANPY5RMEN1NPC1GAA

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-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 WO disclosed