SCHEMBL6982857

SCHEMBL6982857

Oc1ccc2[nH]c3c(c2c1)CCCC3

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.60
MAPT P10636 8/20 0.60
KMT2A Q03164 9/20 0.56
MEN1 O00255 8/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
GFER P55789 1/20 0.56
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 6/20 0.56
LMNA P02545 2/20 0.56
PRKD1 Q15139 1/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CASP1 P29466 3/20 0.51
TP53 P04637 1/20 0.51
DRD2 P14416 1/20 0.51
DRD1 P21728 1/20 0.51
DRD5 P21918 1/20 0.51
DRD3 P35462 1/20 0.51
HSD17B10 Q99714 2/20 0.50
SIRT1 Q96EB6 1/20 0.50

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
SCHEMBL31195705 0.96 MAPT (0.65) F2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5458644 0.86 KDM4E (0.57) F2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL2396914 0.79 LMNA (0.64) KDM4ELMNAPRKD1DRD2DRD1
SCHEMBL1465735 0.79 F2 (0.60) F2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6826753 0.79 MAPT (0.60) F2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL1053506 0.79 MAPT (0.93) F2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4778907 0.79 MAPT (0.60) F2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL2515756 0.79 MAPT (0.60) F2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL30228634 0.78 TAAR1 (0.59) KMT2AKDM4ELMNAPRKD1DRD2
Hydrochloric Acid SCHEMBL5682360 0.78 LMNA (0.62) KDM4ELMNAPRKD1DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5001032-A None JP disclosed
US-8486990-B2 SirT inhibitors that bind to NAD ELIXIR PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
EP-0839806-B1 Substituted tricyclics LILLY CO ELI (US) 2003-07-09 EP disclosed
CN-1233176-A Substituted tricyclics LILLY CO ELI (US) 1999-10-27 CN disclosed
WO-1998018464-A1 SUBSTITUTED TRICYCLICS ELI LILLY AND COMPANY (US) 1998-05-07 WO disclosed
EP-0839806-A1 Substituted tricyclics ELI LILLY AND COMPANY (US) 1998-05-06 EP disclosed
JP-H051032-A CARBAZOL-6-OL DERIVATIVE AND ITS PRODUCTION FUJI PHOTO FILM CO LTD 1993-01-08 JP disclosed