SCHEMBL9411404

SCHEMBL9411404

Clc1ccc2onc(OCCC3CCN(CC4CCCCC4)CC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
ACHE P22303 11/20 0.42
DRD3 P35462 2/20 0.40
HTR2A P28223 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HTR4 Q13639 6/20 0.38
SIGMAR1 Q99720 2/20 0.38
HRH1 P35367 1/20 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
Fumaric Acid SCHEMBL9411333 0.92 ACHE (0.43) OPRM1OPRL1OPRD1OPRK1ACHE
Fumaric Acid SCHEMBL9411328 0.92 ACHE (0.43) OPRM1OPRL1OPRD1OPRK1ACHE
SCHEMBL9411529 0.92 ACHE (0.42) OPRM1OPRL1OPRD1OPRK1ACHE
SCHEMBL9411358 0.88 ACHE (0.48) OPRM1OPRL1OPRD1OPRK1ACHE
SCHEMBL9411606 0.84 ACHE (0.62) ACHEDRD2DRD4
SCHEMBL9411347 0.82 ACHE (0.55) OPRM1OPRL1OPRD1OPRK1ACHE
Fumaric Acid SCHEMBL9411195 0.82 ACHE (0.48) OPRM1OPRL1OPRD1OPRK1ACHE
SCHEMBL9411464 0.82 ACHE (0.47) ACHE
SCHEMBL9411555 0.82 ACHE (0.41) OPRM1OPRL1OPRD1OPRK1ACHE
Fumaric Acid SCHEMBL9411598 0.81 ACHE (0.44) ACHEDRD3HTR2AHTR4SIGMAR1

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