SCHEMBL7258183

SCHEMBL7258183

NC(=O)C1CCCc2c(N)cccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 13/20 0.47
SIRT2 Q8IXJ6 8/20 0.47
ADRA2A P08913 1/20 0.46
HSD17B2 P37059 1/20 0.42
SIRT3 Q9NTG7 2/20 0.40
RECQL P46063 1/20 0.40
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GID4 Q8IVV7 1/20 0.39

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
SCHEMBL11632294 0.81 SIRT1 (0.45) SIRT1SIRT2SIRT3RECQLUSP2
SCHEMBL7263508 0.80 SIRT1 (0.44) SIRT1SIRT2ADRA2ASIRT3RECQL
SCHEMBL5520518 0.79 CA1 (0.55)
SCHEMBL7263632 0.79 ALDH1A1 (0.52) ADRA2AHSD17B2RECQLHSD17B10
SCHEMBL11415732 0.79 ADRA2A (0.40) SIRT1SIRT2ADRA2AHSD17B2GID4
SCHEMBL28279922 0.78 GID4 (0.41) SIRT1ADRA2AHSD17B2GID4
SCHEMBL11636914 0.77 SIRT1 (0.44) SIRT1SIRT2SIRT3RECQL
SCHEMBL31396122 0.77 GID4 (0.44) SIRT1ADRA2AHSD17B2GID4
SCHEMBL11634027 0.76 SIRT1 (0.43) SIRT1SIRT2SIRT3RECQL
SCHEMBL11418325 0.76 ADRA2A (0.38) SIRT1SIRT2ADRA2AHSD17B2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614898-B1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2003-05-07 EP disclosed
US-6291470-B1 DELTA-OPIOID ANTAGONIST HAVING HIGH SELECTIVITY AND ACTIVITY, THAT EXHIBITS IMMUNOSUPPRESSIVE ACTION, ANTIALLERGIC ACTION, ANTI-INFLAMMATORY ACTION AND BRAIN CELL-PROTECTING ACTION TORAY INDUSTRIES, INC. (JP) 2001-09-18 US disclosed
US-6087369-A AN IMMUNOSUPPRESSIVE AGENT, ANTIALLERGIC AGENT, ANTI-INFLAMMATORY AGENT AND BRAIN CELL-PROTECTING AGENT TORAY INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
US-5852030-A Indole derivatives, process for producing the same and medicinal uses of the same TORAY INDUSTRIES, INC. (JP) 1998-12-22 US disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 EP disclosed