SCHEMBL13050477

SCHEMBL13050477

Bc1ccc(F)c(-c2nc3cc(C)ccc3n2C(=O)OC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.36
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
AGPAT2 O15120 1/20 0.33

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
SCHEMBL13050793 0.89 CRBN (0.39) DPP4DPP7
SCHEMBL1284447 0.87 CCNB2 (0.39) ALOX5APNR1H2TRPV3
SCHEMBL13049947 0.87 AGPAT2 (0.46) GABRG2GABRB3GABRA5GABRPGABRD
SCHEMBL1283797 0.78 PIK3CA (0.41) ALOX5APAGPAT2
SCHEMBL1284052 0.76 CRBN (0.39) DPP4DPP7
SCHEMBL1284411 0.76 LGMN (0.46) NR1H2
SCHEMBL3510396 0.75 CCNB2 (0.44) NR1H2TRPV3BACE1
SCHEMBL1284860 0.74 AGPAT2 (0.46) AGPAT2NR1H2
SCHEMBL25736834 0.74 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRPGABRD
SCHEMBL18764834 0.71 FAAH (0.42) GABRG2GABRB3GABRA5AGPAT2NR1H2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010142426-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-12-16 WO disclosed