SCHEMBL6170688

SCHEMBL6170688

O=C(c1cc2ccc(Cl)cc2[nH]1)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.57
HRH3 Q9Y5N1 2/20 0.57
ALOX15 P16050 7/20 0.54
PDGFRB P09619 1/20 0.46
FLT3 P36888 1/20 0.46
F10 P00742 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 1/20 0.45
MDM2 Q00987 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
DAO P14920 1/20 0.44
GPR183 P32249 1/20 0.44
PYGL P06737 1/20 0.43

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
SCHEMBL7030607 0.81 FLT3 (0.57) HRH4HRH3PDGFRBFLT3ALDH1A1
SCHEMBL18900665 0.76 FLT3 (0.59) HRH4HRH3PDGFRBFLT3ALDH1A1
SCHEMBL30310328 0.75 F7 (0.74) HRH4ALOX15PDGFRBFLT3MEN1
SCHEMBL671001 0.75 F7 (0.74) HRH4ALOX15PDGFRBFLT3MEN1
SCHEMBL23835754 0.73 ALOX15 (0.69) HRH4ALOX15PDGFRBFLT3MEN1
SCHEMBL29062810 0.73 ALOX15 (0.64) HRH4ALOX15PDGFRBFLT3MEN1
SCHEMBL16842006 0.73 TAS1R3 (0.59) ALOX15F10PYGL
SCHEMBL5260262 0.73 F10 (0.59) ALOX15F10PYGL
SCHEMBL7024844 0.72 FLT3 (0.62) HRH4HRH3PDGFRBFLT3ALDH1A1
SCHEMBL7505243 0.71 MEN1 (0.51) ALOX15MEN1ALDH1A1CYP1A2CYP3A4

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-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed
EP-1045833-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER INC. (US) 2000-10-25 EP disclosed
WO-1999035130-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-07-15 WO disclosed