SCHEMBL8550325

SCHEMBL8550325

O=C(NCS(=O)(=O)NC(=O)c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 16/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.46
FFAR1 O14842 2/20 0.46

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
SCHEMBL5427673 0.84 MRGPRX4 (0.70) MRGPRX4
SCHEMBL10877691 0.82 CYP1A2 (0.54) MRGPRX4FFAR1
SCHEMBL30278570 0.79 MRGPRX4 (0.69) MRGPRX4FFAR1
SCHEMBL3791436 0.79 MRGPRX4 (0.69) MRGPRX4FFAR1
SCHEMBL8015966 0.77 MRGPRX4 (0.54) MRGPRX4FFAR1
SCHEMBL10875248 0.77 MEN1 (0.56) MRGPRX4
SCHEMBL10499547 0.76 FFAR1 (0.56) MRGPRX4FFAR1
SCHEMBL10673556 0.76 MRGPRX4 (0.67) MRGPRX4FFAR1
SCHEMBL680193 0.76 MRGPRX4 (0.61) MRGPRX4
SCHEMBL10661457 0.76 MRGPRX4 (0.61) MRGPRX4

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
WO-1999053930-A1 SYNTHETIC GLYCOAMINES AND METHODS FOR THEIR USE, ALONE OR IN COMBINATION WITH OTHER THERAPIES, THAT AFFECT CELL ADHESION, INHIBIT CANCER CELL GROWTH AND METASTASIS, AND INDUCE APOPTOSIS GLINSKII GUENNADI V (US) 1999-10-28 WO claimed
EP-0832065-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed