SCHEMBL9411640

SCHEMBL9411640

Cc1ccc2c(OCCC3CCN(Cc4ccc5ccccc5c4)CC3)noc2c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.50
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47

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
SCHEMBL9411337 0.90 ACHE (0.62) ACHEDRD2DRD4
SCHEMBL9411462 0.89 SLC6A2 (0.57) ACHESLC6A2SLC6A4SLC6A3DRD2
Fumaric Acid SCHEMBL9411247 0.86 ACHE (0.52) ACHESLC6A2SLC6A4SLC6A3DRD2
Fumaric Acid SCHEMBL9411250 0.86 ACHE (0.52) ACHESLC6A2SLC6A4SLC6A3DRD2
SCHEMBL9411607 0.85 SLC6A4 (0.48) ACHESLC6A4SLC6A3DRD2DRD4
SCHEMBL9411323 0.85 SLC6A2 (0.54) ACHESLC6A2SLC6A4SLC6A3DRD2
SCHEMBL9411468 0.84 MCHR1 (0.52) ACHESLC6A2SLC6A4SLC6A3DRD2
SCHEMBL9411254 0.82 ACHE (0.52) ACHEDRD2
SCHEMBL9411261 0.82 ACHE (0.70) ACHEDRD2DRD4
SCHEMBL9411555 0.79 ACHE (0.41) ACHE

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