SCHEMBL16798246

SCHEMBL16798246

CCCCc1ccc(N=Cc2cc[c]cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.53
CYP2D6 P10635 4/20 0.53
CYP2C9 P11712 4/20 0.53
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
THRB P10828 2/20 0.38
CA2 P00918 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.38
CA1 P00915 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6635785 0.89 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B
SCHEMBL3620867 0.89 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B
SCHEMBL11524101 0.89 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B
SCHEMBL12416611 0.85 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B
SCHEMBL10346503 0.85 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B
SCHEMBL1129722 0.84 CYP2C9 (0.55) CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B
SCHEMBL1130474 0.84 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B
SCHEMBL1129724 0.84 CYP2C9 (0.55) CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B
SCHEMBL1130476 0.84 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B
SCHEMBL16798221 0.83 CYP2C9 (0.47) CYP2C9ALDH1A1HSD17B10THRBCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160340556-A1 ADHESIVE SHEET, REINFORCING REPAIR TAPE, AND REINFORCED BUILDING MATERIAL 3M INNOVATIVE PROPERTIES COMPANY 2016-11-24 US disclosed
EP-3077471-A1 ADHESIVE SHEET, REINFORCING REPAIR TAPE, AND REINFORCED BUILDING MATERIAL 3M Innovative Properties Company (US) 2016-10-12 EP disclosed
WO-2015084720-A1 ADHESIVE SHEET, REINFORCING REPAIR TAPE, AND REINFORCED BUILDING MATERIAL 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-06-11 WO disclosed