SCHEMBL14290338

SCHEMBL14290338

CC(C)(N)Cc1cnc2cc(OCC(N)=O)ccn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.40
AKT2 P31751 3/20 0.40
GGPS1 O95749 1/20 0.38
FDPS P14324 1/20 0.38
PDK2 Q15119 2/20 0.36
DPP4 P27487 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TBXAS1 P24557 1/20 0.35
POLB P06746 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRK2 P25098 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4714265 0.87 GGPS1 (0.37) AKT1AKT2GGPS1FDPSPDK2
SCHEMBL14290281 0.76 KDM4E (0.47) GGPS1FDPSKDM4EALDH1A1POLB
SCHEMBL2265948 0.74 PRMT5 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2PRMT5
SCHEMBL14290310 0.73 KDM4E (0.39) GGPS1FDPSKDM4E
SCHEMBL20926916 0.71 FDPS (0.62) GGPS1FDPSKDM4EALDH1A1HPGD
SCHEMBL9797162 0.70 GGPS1 (0.61) GGPS1FDPSKDM4EALDH1A1HPGD
SCHEMBL20985887 0.68 GGPS1 (0.42) GGPS1FDPSKDM4EALDH1A1GLA
SCHEMBL25210046 0.68 AKR1C3 (0.42) KDM4EALDH1A1POLBGAAHPGD
SCHEMBL25199208 0.68 PRMT5 (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2260984 0.67 KDM4E (0.52) KDM4EALDH1A1POLBTDP1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448561-B1 BETA 3 ADRENERGIC AGONISTS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-7265127-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-7265127-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-7253181-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-08-07 US disclosed
US-7253181-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-08-07 US disclosed
US-7241772-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-07-10 US disclosed
US-7241772-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-07-10 US disclosed
US-7205407-B2 3-Substituted oxindole β3 agonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed
US-7205407-B2 3-Substituted oxindole β3 agonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed