SCHEMBL9455261

SCHEMBL9455261

CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CN(c2ccc(F)cc2)c2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.41
DRD3 P35462 7/20 0.40
HTR1A P08908 4/20 0.40
DRD1 P21728 4/20 0.40
DRD5 P21918 4/20 0.40
SLC6A2 P23975 4/20 0.40
HTR2A P28223 4/20 0.40
SLC6A4 P31645 4/20 0.40
HTR7 P34969 4/20 0.40
HRH1 P35367 4/20 0.40
HTR2B P41595 4/20 0.40
CCR1 P32246 2/20 0.40
SIGMAR1 Q99720 4/20 0.39
SLC6A3 Q01959 2/20 0.39
DRD4 P21917 2/20 0.39
LMNA P02545 1/20 0.39
CCR3 P51677 1/20 0.38
MEN1 O00255 1/20 0.38
CACNA1F O60840 1/20 0.38
KCNK2 O95069 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
SCHEMBL9455323 0.95 OPRM1 (0.41) DRD2DRD3CCR1SIGMAR1DRD4
SCHEMBL9455304 0.92 OPRM1 (0.43) DRD2DRD3CCR1SIGMAR1DRD4
Hydrochloric Acid SCHEMBL9455139 0.91 CCR3 (0.43) DRD2SLC6A4HTR2BCCR1SIGMAR1
SCHEMBL9455314 0.90 DRD2 (0.41) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL9455021 0.89 CCR3 (0.39) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL9455303 0.85 NR3C2 (0.43) DRD2DRD3SIGMAR1DRD4LMNA
SCHEMBL9455039 0.82 OPRL1 (0.49) DRD2DRD3SIGMAR1DRD4LMNA
SCHEMBL9455201 0.75 DRD4 (0.46) DRD2DRD3DRD4LMNAMEN1
SCHEMBL9455311 0.75 OPRL1 (0.49) DRD2DRD3SIGMAR1DRD4LMNA
SCHEMBL9455252 0.74 SIGMAR1 (0.58) DRD2DRD3HTR1ADRD1DRD5

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