SCHEMBL9411665

SCHEMBL9411665

Cc1ccc2onc(OCCC3CCN(CCc4ccccc4)CC3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.60
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
KCNH2 Q12809 2/20 0.45

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
Fumaric Acid SCHEMBL9411472 0.93 ACHE (0.53) ACHE
Fumaric Acid SCHEMBL9411465 0.93 ACHE (0.53) ACHE
SCHEMBL9411254 0.92 ACHE (0.52) ACHEDRD2HTR2AHTR2CHTR2B
SCHEMBL9411564 0.91 ACHE (0.48) ACHEDRD2HTR2AHTR2CHTR2B
SCHEMBL9411261 0.90 ACHE (0.70) ACHEDRD2
SCHEMBL9411222 0.88 ACHE (0.63) ACHEDRD2HTR2AHTR2CHTR2B
SCHEMBL9411458 0.88 ACHE (0.52) ACHEKCNH2
Fumaric Acid SCHEMBL9411235 0.86 ACHE (0.50) ACHEHTR2A
Fumaric Acid SCHEMBL9411238 0.86 ACHE (0.50) ACHEHTR2A
SCHEMBL27981554 0.84 ACHE (0.83) 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 2 patents. 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 claimed
EP-0602242-A1 BENZISOXAZOLE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-22 EP disclosed