SCHEMBL8134690

SCHEMBL8134690

COC(=O)c1ccc(-c2ccc(N)c(C)c2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.52
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 6/20 0.50
HPGD P15428 5/20 0.50
MAPT P10636 4/20 0.50
HSD17B10 Q99714 2/20 0.50
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL753159 0.87 KDM4E (0.62) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL6166997 0.85 SLC2A1 (0.54) SLC2A1ALDH1A1KDM4EHPGDMAPT
SCHEMBL2724207 0.85 MAPT (0.47) SLC2A1ALDH1A1KDM4EHPGDMAPT
SCHEMBL1528952 0.85 ALDH1A1 (0.47) SLC2A1ALDH1A1KDM4EHPGDMAPT
SCHEMBL28255681 0.84 SLC2A1 (0.63) SLC2A1ALDH1A1KDM4EHPGDMAPT
SCHEMBL6866579 0.83 RARB (0.51) ALDH1A1KDM4EHSD17B10GAATDP1
SCHEMBL12002526 0.82 SLC2A1 (0.54) SLC2A1ALDH1A1KDM4EHPGDMAPT
SCHEMBL10260635 0.81 SLC2A1 (0.51) SLC2A1ALDH1A1KDM4EMAPTGAA
SCHEMBL28081743 0.81 MAPT (0.51) SLC2A1ALDH1A1KDM4EHPGDMAPT
SCHEMBL16937873 0.81 TDP1 (0.57) SLC2A1ALDH1A1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100272-A Tetracyclic spiro compounds as 5HT1B receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-08 US disclosed
EP-0888358-A1 PIPERIDINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1999-01-07 EP disclosed
WO-1997034901-A1 PIPERIDINE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 1997-09-25 WO disclosed