SCHEMBL5516514

SCHEMBL5516514

CC(C)(C)[C@H]1CCCc2cc(C=O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A3 P47895 4/20 0.33
TSHR P16473 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
HTR6 P50406 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL7478331 0.80 ALDH1A1 (0.46) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL20224128 0.78 SRD5A1 (0.41) HTR6
SCHEMBL10192254 0.76 HTR2C (0.43) GAATSHRESR1ESR2
SCHEMBL2560483 0.76 ALDH1A1 (0.43) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL12932008 0.76 ALDH1A1 (0.43) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL4337300 0.76 ALDH1A1 (0.43) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL1472540 0.76 ALDH1A1 (0.43) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL3536253 0.74 ALDH1A1 (0.37) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL3536252 0.74 ALDH1A1 (0.37) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL12084123 0.74 CHRNA7 (0.48) DRD1

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-1817294-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS Amgen Inc. (US) 2007-08-15 EP disclosed
WO-2006019975-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS AMGEN INC. (US) 2006-02-23 WO disclosed