SCHEMBL6619002

SCHEMBL6619002

COC(=O)C(C)c1c[nH]c2cccc(OCc3ccccc3)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.50
ABCG2 Q9UNQ0 5/20 0.45
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
SRD5A2 P31213 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6618364 0.90 HTR2A (0.53) HTR2AABCG2GABRPGABRDGABRA1
SCHEMBL17520552 0.86 HTR2A (0.47) HTR2AABCG2GABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL17500278 0.85 HTR2A (0.47) HTR2AABCG2GABRPGABRDGABRA1
SCHEMBL17500301 0.82 MAPT (0.47) HTR2AABCG2GABRPGABRDGABRA1
SCHEMBL6676188 0.80 BRD4 (0.51) ALDH1A1BRD4KDM4ETDP1LTA4H
SCHEMBL9015290 0.80 HTR2A (0.53) HTR2ASRD5A2ALDH1A1EDNRAKMT2A
SCHEMBL27472077 0.78 HTR2A (0.51) HTR2ASRD5A2ALDH1A1EDNRAMEN1
SCHEMBL31623679 0.78 HTR2A (0.42) HTR2AABCG2GABRPGABRDGABRA1
SCHEMBL9046244 0.78 HTR2A (0.48) HTR2AABCG2GABRPGABRDGABRA1
SCHEMBL6315078 0.78 HTR2A (0.50) HTR2ASRD5A2ALDH1A1EDNRAKMT2A

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-1423363-A1 ORAL ANTIDIABETIC AGENTS Warner-Lambert Company LLC (US) 2004-06-02 EP claimed
WO-2003018553-A1 ORAL ANTIDIABETIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2003-03-06 WO claimed
EP-1423363-A1 ORAL ANTIDIABETIC AGENTS Warner-Lambert Company LLC (US) 2004-06-02 EP disclosed
WO-2003018553-A1 ORAL ANTIDIABETIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2003-03-06 WO disclosed