SCHEMBL7964243

SCHEMBL7964243

c1ccc2c(c1)ccn2OC[C@@H]1CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
CDK4 P11802 4/20 0.40
CCND1 P24385 4/20 0.40
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HIF1A Q16665 1/20 0.38
DHFR P00374 1/20 0.37
HTR6 P50406 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MGLL Q99685 2/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL7454418 1.00 TDP1 (0.42) TDP1CDK4CCND1ALDH1A1GLA
SCHEMBL10449108 0.79 DHFR (0.40) TDP1ALDH1A1GLATSHRSMN1; SMN2
SCHEMBL7328991 0.74 DHFR (0.41) TDP1CDK4CCND1ALDH1A1GLA
SCHEMBL9593237 0.74 DHFR (0.41) TDP1CDK4CCND1ALDH1A1GLA
SCHEMBL30233726 0.73 CDK4 (0.47) CDK4CCND1ALDH1A1TSHRHTR6
SCHEMBL3576716 0.73 CDK4 (0.47) CDK4CCND1ALDH1A1TSHRHTR6
SCHEMBL4288131 0.73 CDK4 (0.45) CDK4CCND1ALDH1A1TSHRHTR6
SCHEMBL30388872 0.71 CDK4 (0.43) CDK4CCND1ALDH1A1SMN1; SMN2TP53
SCHEMBL4060187 0.71 DHFR (0.47) TDP1ALDH1A1GLATSHRSMN1; SMN2
SCHEMBL30119624 0.71 CDK4 (0.55) CDK4CCND1TSHRSMN1; SMN2DHFR

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
US-6265581-B1 REACTING SPECIFIED EPOXIDE AND AMINE, REACTING PRODUCT WITH ACID TO FORM ACID ADDITION SALT ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6093735-A TREATMENT OF TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-07-25 US disclosed
US-6075040-A OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2000-06-13 US disclosed
US-6060492-A SIDE EFFECT REDUCTION ELI LILLY AND COMPANY (US) 2000-05-09 US disclosed
US-5977154-A OBESITY, DIABETES ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5840738-A Selective β-3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-11-24 US disclosed
US-5808080-A Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-09-15 US disclosed
WO-1997010825-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1997-03-27 WO disclosed
EP-0764640-A1 Selective beta3 adrenergic agonists ELI LILLY AND COMPANY (US) 1997-03-26 EP disclosed