SCHEMBL3989592

SCHEMBL3989592

CN(C)CCC(=O)c1ccc(N)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.62
PHLPP2 Q6ZVD8 1/20 0.57
THRA P10827 11/20 0.55
THRB P10828 8/20 0.55
EGFR P00533 2/20 0.53
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL9509983 0.90 GSR (0.72) GSRTHRATHRBEGFRKMT2A
Hydrochloric Acid SCHEMBL10353476 0.88 GSR (0.73) GSRTHRATHRBEGFRKMT2A
SCHEMBL13917786 0.85 GSR (0.62) GSRTHRATHRBEGFRKMT2A
SCHEMBL11270329 0.82 GSR (0.64) GSRTHRATHRBEGFR
SCHEMBL5458640 0.82 GSR (0.64) GSRTHRATHRBEGFRKMT2A
SCHEMBL9491562 0.81 LMNA (0.59) GSRPHLPP2THRATHRBKMT2A
SCHEMBL1776744 0.81 GSR (0.62) GSRTHRATHRBEGFRKMT2A
Hydrochloric Acid SCHEMBL3327743 0.81 GSR (0.65) GSRTHRATHRBEGFR
SCHEMBL29965045 0.81 GSR (0.62) GSRTHRATHRBEGFRKMT2A
Hydrochloric Acid SCHEMBL5954533 0.81 GSR (0.65) GSRTHRATHRBEGFRKMT2A

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
CN-106824252-B Nickel-based mesoporous carbon dioxide methanation catalyst and preparation method thereof 浙江海洋大学 2020-05-12 CN disclosed
WO-2009061131-A2 NOVEL TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME JE IL PHARMACEUTICAL CO., LTD. (KR) 2009-05-14 WO disclosed