SCHEMBL6673483

SCHEMBL6673483

COc1cc(OC)c(NC(=O)c2ccc(Oc3cc(C(C)(C)C)c(Br)cc3Br)o2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.43
GNRHR P30968 1/20 0.43
GPR183 P32249 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNH2 Q12809 1/20 0.38
GAA P10253 3/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTR1A P08908 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL6705407 0.91 S1PR4 (0.46) MAPTALDH1A1LMNANPC1PKM
SCHEMBL6669991 0.85 GNRHR (0.48) FPR1GNRHRGPR183GPR119MAPT
SCHEMBL6646603 0.84 CYP2C9 (0.40) GNRHRMAPTALDH1A1LMNANPC1
SCHEMBL4862543 0.81 FPR1 (0.44) FPR1GNRHRGPR183GPR119MAPT
SCHEMBL6666665 0.80 FPR1 (0.46) FPR1GNRHRGPR183GPR119MAPT
SCHEMBL6645028 0.79 FPR1 (0.48) FPR1GNRHRGPR183GPR119MAPT
SCHEMBL6640692 0.77 FPR1 (0.52) FPR1GNRHRGPR183GPR119MAPT
SCHEMBL6668012 0.77 FPR1 (0.50) FPR1GNRHRGPR183GPR119MAPT
SCHEMBL6669190 0.77 GNRHR (0.47) FPR1GNRHRGPR183GPR119MAPT
SCHEMBL6668839 0.77 FPR1 (0.46) FPR1GNRHRGPR183GPR119MAPT

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
EP-1401427-A4 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM AGOURON PHARMA (US) 2004-12-01 EP disclosed
EP-1401427-A2 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM Agouron Pharmaceuticals, Inc. (US) 2004-03-31 EP disclosed
WO-2002098363-A2 NON-PEPTIDE GnRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM AGOURON PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed