SCHEMBL9455237

SCHEMBL9455237

OC1(c2ccc(F)cc2)CCN(CC2CN(c3ccc(F)cc3)c3ccc(F)cc3S2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.48
DRD2 P14416 10/20 0.40
DRD3 P35462 4/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 2/20 0.38
DRD1 P21728 2/20 0.38
DRD5 P21918 2/20 0.38
SLC6A2 P23975 2/20 0.38
HTR2A P28223 2/20 0.38
SLC6A4 P31645 2/20 0.38
HTR7 P34969 2/20 0.38
HRH1 P35367 2/20 0.38
HTR2B P41595 2/20 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
SCHEMBL9455308 0.86 SIGMAR1 (0.45) SIGMAR1DRD2DRD3LMNA
SCHEMBL9455290 0.78 SIGMAR1 (0.62) SIGMAR1
SCHEMBL9455848 0.77 OPRM1 (0.54) SIGMAR1DRD2DRD3LMNASMN1; SMN2
SCHEMBL9455310 0.74 SIGMAR1 (0.57) SIGMAR1DRD2DRD3LMNAHTR1A
SCHEMBL9455321 0.72 SIGMAR1 (0.63) SIGMAR1
SCHEMBL9455250 0.71 AR (0.37) SIGMAR1DRD2DRD3SMN1; SMN2
SCHEMBL9676199 0.70 SIGMAR1 (0.85) SIGMAR1
SCHEMBL9455317 0.70 OPRM1 (0.52) DRD2DRD3LMNASMN1; SMN2HTR1A
SCHEMBL9455294 0.69 SIGMAR1 (0.59) SIGMAR1DRD2
SCHEMBL9455013 0.69 SIGMAR1 (0.54) SIGMAR1DRD2LMNA

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 5 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 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