SCHEMBL13680809

SCHEMBL13680809

O=CCCc1cccc(-c2ccc(C(F)(F)F)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
SYK P43405 1/20 0.39
CDK8 P49336 1/20 0.37
METAP2 P50579 1/20 0.36

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
SCHEMBL13680797 0.82 CYP11B2 (0.38) GRIN1GRIN2BCDK8
SCHEMBL13680798 0.81 CYP1A2 (0.38) GRIN1GRIN2BMRGPRX4
SCHEMBL13680808 0.80 EPHX2 (0.38) GRIN1GRIN2BPIK3CDPIK3CAPIK3CB
SCHEMBL18233495 0.79 SYK (0.53) GRIN1GRIN2BPIK3CDPIK3CAPIK3CB
SCHEMBL13680787 0.79 AGXT (0.56)
SCHEMBL4010033 0.78 DAO (0.50) GRIN1GRIN2BMRGPRX4
SCHEMBL18003547 0.77 MAOB (0.50)
SCHEMBL13680810 0.76 HSD17B1 (0.53) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13680811 0.76 HIF1A (0.48)
SCHEMBL13680850 0.76 TRPV3 (0.53)

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed