SCHEMBL9518975

SCHEMBL9518975

CN1CCOc2ccccc2Oc2ccccc2CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 5/20 0.52
DRD5 P21918 5/20 0.52
DRD2 P14416 5/20 0.52
DRD4 P21917 5/20 0.52
DRD3 P35462 4/20 0.52
SETD7 Q8WTS6 1/20 0.49
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NOTUM Q6P988 1/20 0.41
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
HTT P42858 1/20 0.38
ADRA2A P08913 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
SCHEMBL9615962 0.88 SETD7 (0.59) DRD1DRD5DRD2DRD4DRD3
SCHEMBL9515147 0.86 DRD2 (0.47) DRD1DRD5DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL9517633 0.85 MAOA (0.49) DRD1DRD5DRD2DRD4DRD3
SCHEMBL11141355 0.81 DRD1 (0.54) DRD1DRD5DRD2DRD4DRD3
SCHEMBL11131856 0.81 MAOA (0.68) DRD1DRD5DRD2DRD4DRD3
SCHEMBL11096596 0.80 DRD1 (0.72) DRD1DRD5DRD2DRD4DRD3
SCHEMBL1203639 0.80 ITGB2 (0.54) MAOAMAOBITGB2ICAM1ITGAL
Hydrochloric Acid SCHEMBL11095470 0.79 MAOA (0.69) DRD1DRD5DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL11254459 0.79 MAOA (0.53) DRD1DRD5DRD2DRD4DRD3
Maleic Acid SCHEMBL9517655 0.77 HRH2 (0.53) DRD1DRD5DRD2DRD4DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0423870-B1 DIBENZODIOXAZECINE AND DIBENZODIOXAAZACYCLOUNDECINE DERIVATIVES Akzo Nobel N.V. (NL) 1993-07-14 EP disclosed
US-5106839-A DIBENZODIOXAZECINE AND DIBENZODIOXAAZACYCLOUNDECINE DERIVATIVES AKZO N.V. (NL) 1992-04-21 US disclosed
EP-0423870-A1 Dibenzodioxazecine and dibenzodioxaazacycloundecine derivatives Akzo Nobel N.V. (NL) 1991-04-24 EP disclosed