SCHEMBL8440263

SCHEMBL8440263

C[C@@H](C(=O)c1ccc2c(c1)CCCC2=O)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
MAOA P21397 3/20 0.49
PRKCI P41743 1/20 0.49
BAZ2B Q9UIF8 1/20 0.48
HSD17B1 P14061 2/20 0.44
GRM5 P41594 1/20 0.40
CYP2A6 P11509 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
MAPK14 Q16539 2/20 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
SCHEMBL19044457 0.80 MAOB (0.54) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL10193085 0.77 BAZ2B (0.65) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL29546005 0.76 ALDH1A1 (0.65) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL356493 0.76 ALDH1A1 (0.65) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL30853876 0.74 MAOA (0.59) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL10436091 0.74 MAOA (0.59) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL1090221 0.74 MAOA (0.59) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL9944562 0.74 MAOA (0.59) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL8440260 0.74 MAOB (0.48) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL19029127 0.74 BAZ2B (0.56) 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