SCHEMBL9411575

SCHEMBL9411575

Fc1ccc2c(OCCC3CCN(Cc4cccc5ccccc45)CC3)noc2c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 2/20 0.57
ACHE P22303 2/20 0.47
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
DRD2 P14416 5/20 0.43
HTR2A P28223 5/20 0.43
HTR7 P34969 2/20 0.43
HTR6 P50406 2/20 0.43
HTR1A P08908 3/20 0.42
HRH3 Q9Y5N1 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9411549 0.95 SLC6A4 (0.54) SLC6A4SLC6A3ACHEOPRM1OPRK1
SCHEMBL9411607 0.89 SLC6A4 (0.48) SLC6A4SLC6A3ACHEOPRM1OPRK1
SCHEMBL9411412 0.86 ACHE (0.61) SLC6A3ACHEDRD2HTR2AHTR1A
SCHEMBL9411462 0.85 SLC6A2 (0.57) SLC6A4SLC6A3ACHEDRD2HTR2A
SCHEMBL9411635 0.84 ACHE (0.58) SLC6A4SLC6A3ACHEDRD2HTR2A
SCHEMBL9411656 0.84 HTR1A (0.54) SLC6A3ACHEDRD2HTR2AHTR6
SCHEMBL9411372 0.84 ACHE (0.49) SLC6A4SLC6A3ACHEOPRM1OPRK1
SCHEMBL9411432 0.83 ACHE (0.46) ACHEDRD2HTR2AHTR6HTR1A
SCHEMBL9411470 0.83 ACHE (0.59) SLC6A4SLC6A3ACHEDRD2HTR2A
SCHEMBL9411298 0.81 HTR2A (0.51) ACHEDRD2HTR2AHTR6HTR1A

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
EP-0602242-A1 BENZISOXAZOLE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-22 EP disclosed