SCHEMBL5572210

SCHEMBL5572210

COc1ccnc(N2CCC[C@]3(CCN(C4CCOCC4)C3)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.40
CYP1A2 P05177 6/20 0.40
CYP3A4 P08684 2/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 8/20 0.39
ALDH1A1 P00352 6/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
EGFR P00533 1/20 0.36
LCAT P04180 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
OGA O60502 1/20 0.35

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
SCHEMBL550472 0.79 HCRTR1 (0.44) EGFRLCATOGA
SCHEMBL2699351 0.79 HCRTR1 (0.44) EGFRLCATOGA
SCHEMBL5930352 0.79 HCRTR1 (0.44) EGFRLCATOGA
SCHEMBL5571843 0.75 HRH3 (0.42) CYP2D6CYP1A2CYP3A4USP2HSD17B10
SCHEMBL5571772 0.73 CYP2D6 (0.42) CYP2D6CYP1A2CYP3A4USP2HSD17B10
SCHEMBL28106498 0.70 OGA (0.50) OGA
SCHEMBL28222348 0.69 OGA (0.49) OGA
SCHEMBL5572058 0.69 CHRNB2 (0.47) CYP2D6CYP1A2CYP3A4USP2HSD17B10
SCHEMBL5572510 0.68 HRH3 (0.38) HSD17B10ALDH1A1ALOX15HRH3HPGD
SCHEMBL25370083 0.68 ALDH1A1 (0.39) CYP2D6ALDH1A1HRH3CYP2C19SMN1; SMN2

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-1812005-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-08-01 EP claimed
WO-2006053024-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-05-18 WO claimed