SCHEMBL8440260

SCHEMBL8440260

CN(C)CCC(=O)c1ccc2c(c1)CCCC2=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.48
MAOA P21397 2/20 0.48
PRKCI P41743 1/20 0.48
BAZ2B Q9UIF8 1/20 0.47
GSR P00390 2/20 0.43
HSD17B1 P14061 2/20 0.43
THRA P10827 6/20 0.41
THRB P10828 4/20 0.40

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
SCHEMBL15968765 0.81 CTNNB1 (0.57) GSRTHRATHRB
SCHEMBL19044457 0.79 MAOB (0.54) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL10193085 0.76 BAZ2B (0.65) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL10966135 0.75 SRD5A2 (0.59) MAOAGSRTHRATHRB
SCHEMBL15969319 0.75 CTNNB1 (0.68) PRKCI
SCHEMBL356493 0.75 ALDH1A1 (0.65) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL29546005 0.75 ALDH1A1 (0.65) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL8440263 0.74 MAOB (0.49) MAOBMAOAPRKCIBAZ2BHSD17B1
Hydrochloric Acid SCHEMBL10968752 0.74 SRD5A2 (0.57) MAOAGSRTHRATHRB
SCHEMBL1090221 0.73 MAOA (0.59) MAOBMAOAPRKCIBAZ2BHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859043-A Method for maintaining kidney function during surgery or severe trauma under general anesthesia BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1999-01-12 US disclosed