SCHEMBL7539072

SCHEMBL7539072

C[C@@H](COC(C)(C)C)NCc1cccc2cc[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BCHE P06276 3/20 0.37
MAPK1 P28482 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
ANO1 Q5XXA6 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
AHR P35869 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
SCHEMBL6328785 0.84 HTR2A (0.38) HTR2AHTR2CBCHEMAPK1NR3C1
SCHEMBL6325298 0.81 MAPK8 (0.41) KDM4EALDH1A1HTR2AHTR2CTDP1
SCHEMBL6325324 0.81 MAPK8 (0.41) KDM4EALDH1A1HTR2AHTR2CTDP1
SCHEMBL2262619 0.80 MAPK1 (0.46) KDM4EALDH1A1HTR2AHTR2CTDP1
SCHEMBL14256041 0.76 AHR (0.42) HTR2AHTR2CBCHENR3C1PGR
SCHEMBL1253321 0.71 HTR2A (0.47) HTR2AHTR2CBCHENR3C1PGR
SCHEMBL27811946 0.70 KDM4A (0.47) HTR2AHTR2CBCHEMAPK1NR3C1
SCHEMBL6334183 0.69 MAPK1 (0.38) HTR2AHTR2CBCHEMAPK1NR3C1
SCHEMBL11478614 0.68 HTR2A (0.51) HTR2AHTR2CBCHENR3C1PGR
SCHEMBL1692142 0.68 GABRA1 (0.47) HTR2AHTR2CBCHENR3C1PGR

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
EP-1250334-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
EP-1242420-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001044235-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2001-06-21 WO disclosed
WO-2001044247-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2001-06-21 WO disclosed