SCHEMBL13680657

SCHEMBL13680657

COC(=O)Nc1ncc(-c2cccc(C)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
WNT3A P56704 2/20 0.43
CNR1 P21554 1/20 0.42
MAP4K4 O95819 1/20 0.41
POLQ O75417 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
KMO O15229 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
ATR Q13535 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40

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
SCHEMBL13680648 0.85 HSD17B10 (0.51) EGLN1WNT3ACNR1MAP4K4AAK1
SCHEMBL22070487 0.79 CYP4F2 (0.66) ALDH1A1EGLN1CYP4F2CYP4A11WNT3A
SCHEMBL13680515 0.78 FAAH (0.66) FAAHALDH1A1CYP3A4MAPK1HPGD
SCHEMBL8241210 0.77 HPGD (0.46) FAAHALDH1A1CYP3A4MAPK1HPGD
SCHEMBL13680466 0.77 FAAH (0.56) FAAHALDH1A1CYP3A4MAPK1HPGD
SCHEMBL13680647 0.76 MAP4K4 (0.67) HPGDEGLN1MAP4K4
SCHEMBL13680686 0.75 CYP2A6 (0.45) AAK1
SCHEMBL13680499 0.73 MAPK1 (0.51) ALDH1A1MAPK1EGLN1CYP4F2CYP4A11
SCHEMBL13680653 0.73 KMO (0.48) ALDH1A1EGLN1CYP4F2CYP4A11MAP4K4
SCHEMBL13525194 0.73 CHRM3 (0.60) FAAHALDH1A1CYP3A4MAPK1HPGD

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