SCHEMBL4671207

SCHEMBL4671207

COC(=O)C1=CC=C2N=CC=CC=C2C1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.31
PTPN1 P18031 1/20 0.31
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
THRB P10828 1/20 0.30
CHRM1 P11229 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
SCHEMBL3914975 0.81 TSHR (0.33) THRB
SCHEMBL1007937 0.80
SCHEMBL27878310 0.78 CHRM3 (0.30) CHRM3PTPN1
SCHEMBL31685960 0.70
SCHEMBL29053129 0.69 CA12 (0.33) CHRM3PTPN1LMNACHRM2CHRM4
SCHEMBL29065453 0.68 NPSR1 (0.38) LMNA
SCHEMBL1693381 0.66 CHRM3 (0.35) CHRM3PTPN1LMNACHRM2CHRM4
SCHEMBL11496766 0.65 CHRM3 (0.37) CHRM3PTPN1LMNACHRM2CHRM4
SCHEMBL1895595 0.65 CHRM3 (0.32) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL3830377 0.65

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-1951676-A2 LXR MODULATORS Brystol-Myers Squibb Company (US) 2008-08-06 EP disclosed
WO-2007050425-A2 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 WO disclosed