SCHEMBL9455016

SCHEMBL9455016

O=C1NCN(c2ccccc2)C12CCN(CC1CN(c3ccccc3)c3ccccc3O1)CC2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.75
OPRK1 P41145 8/20 0.75
DRD2 P14416 6/20 0.75
HTR1A P08908 6/20 0.75
DRD4 P21917 2/20 0.75
DRD3 P35462 2/20 0.75
HTR2A P28223 2/20 0.75
MEN1 O00255 1/20 0.75
CYP1A2 P05177 1/20 0.75
CYP3A4 P08684 1/20 0.75
CYP2D6 P10635 1/20 0.75
CYP2C9 P11712 1/20 0.75
TSHR P16473 1/20 0.75
NFKB1 P19838 1/20 0.75
CYP2C19 P33261 1/20 0.75
KMT2A Q03164 1/20 0.75
HIF1A Q16665 1/20 0.75
NR1I2 O75469 1/20 0.75
LMNA P02545 1/20 0.75
ADRA2A P08913 1/20 0.75

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
SCHEMBL9455222 0.94 OPRM1 (0.68) OPRM1OPRK1DRD2HTR1ADRD4
SCHEMBL9455265 0.90 DRD2 (0.61) OPRM1OPRK1DRD2HTR1ADRD4
SCHEMBL9677855 0.89 OPRM1 (0.67) OPRM1OPRK1DRD2HTR1ADRD4
SCHEMBL9455045 0.88 DRD2 (0.60) OPRM1OPRK1DRD2HTR1ADRD4
Spiroxatrine SCHEMBL1255303 0.86 DRD2 (1.00) OPRM1OPRK1DRD2HTR1ADRD4
SCHEMBL7998679 0.83 OPRM1 (0.73) OPRM1OPRK1DRD2HTR1ADRD4
SCHEMBL8014002 0.83 OPRM1 (0.73) OPRM1OPRK1DRD2HTR1ADRD4
Hydrochloric Acid SCHEMBL7999277 0.82 OPRM1 (0.72) OPRM1OPRK1DRD2HTR1ADRD4
SCHEMBL9455243 0.80 OPRL1 (0.59) OPRM1OPRK1DRD2HTR1ADRD4
SCHEMBL9844492 0.79 OPRM1 (0.56) OPRM1OPRK1DRD2HTR1ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359790-B1 1,4-BENZOXAZINE AND 1,4-BENZOTHIAZINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ERBA CARLO SPA (IT) 1993-11-03 EP claimed
EP-0359790-B1 1,4-BENZOXAZINE AND 1,4-BENZOTHIAZINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5229383-A Treating psychotic disorders FARMITALIA CARLO ERBA S.R.L. (IT) 1993-07-20 US disclosed
US-5084454-A Tranquilizers and antinausea drugs FARMITALIA CARLO ERBA S.R.L. (IT) 1992-01-28 US disclosed
EP-0359790-A1 1,4-BENZOXAZINE AND 1,4-BENZOTHIAZINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1990-03-28 EP disclosed
WO-1989007596-A1 NEW 1,4-BENZOXAZINE AND 1,4-BENZOTHIAZINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1989-08-24 WO disclosed